The hydrocarbon-bearing clathrasil chibaite and its host–guest structure at low temperature

Scheidl, K.S.; Effenberger, H.S.; Yagi, T.; Momma, K.; Miletich, R.

doi:10.1107/S2052252518009107

research papers

IUCrJ

Volume 5| Part 5| September 2018| Pages 595-607

ISSN: 2052-2525

https://doi.org/10.1107/S2052252518009107

CHEMISTRY | CRYSTENG

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The hydrocarbon-bearing clathrasil chibaite and its host–guest structure at low temperature

K. S. Scheidl,^a ^* H. S. Effenberger,^a T. Yagi,^b K. Momma ^c and Ronald Miletich ^a

^aInstitut für Mineralogie und Kristallographie, Universität Wien, Althanstrasse 14, Wien A-1090, Austria, ^bGeochemical Research Center, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan, and ^cNational Museum of Nature and Science, 4-1-1 Amakubo, Tsukuba, Ibaraki 305-0005, Japan
^*Correspondence e-mail: katharina.sarah.scheidl@univie.ac.at

Edited by P. Lightfoot, University of St Andrews, Scotland (Received 27 March 2018; accepted 22 June 2018; online 8 August 2018)

The natural sII-type clathrasil chibaite [chemical formula SiO₂·(M¹²,M¹⁶), where M^x denotes a guest molecule] was investigated using single-crystal X-ray diffraction and Raman spectroscopy in the temperature range from 273 to 83 K. The O atoms of the structure at room temperature, which globally conforms to space group $[Fd{\overline 3}m]$ [V = 7348.9 (17) Å³, a = 19.4420 (15) Å], have anomalous anisotropic displacement parameters indicating a static or dynamic disorder. With decreasing temperature, the crystal structure shows a continuous symmetry-lowering transformation accompanied by twinning. The intensities of weak superstructure reflections increase as temperature decreases. A monoclinic twinned superstructure was derived at 100 K [A2/n, V = 7251.0 (17) Å³, a′ = 23.7054 (2), b′ = 13.6861 (11), c′ = 23.7051 (2) Å, β′ = 109.47°]. The transformation matrix from the cubic to the monoclinic system is a_i′ = (½ 1 ½ / ½ 0 −½ / ½ −1 ½). The A2/n host framework has Si—O bond lengths and Si—O—Si angles that are much closer to known values for stable silicate-framework structures compared with the averaged $[Fd{\overline 3}m]$ model. As suggested from band splitting observed in the Raman spectra, the [5¹²]-type cages (one crystallographically unique in $[Fd{\overline 3}m]$ , four different in A2/n) entrap the hydrocarbon species (CH₄, C₂H₆, C₃H₈, i-C₄H₁₀). The [5¹²6⁴]-type cage was found to be unique in both structure types. It contains the larger hydrocarbon molecules C₂H₆, C₃H₈ and i-C₄H₁₀.

Keywords: chibaite; clathrasils; hydrocarbons; Raman spectroscopy; X-ray diffraction; low temperature.

CCDC references: 1854241; 1854242; 1854243; 1854244; 1854245; 1854246; 1854247; 1854248; 1854249; 1854250

1. Introduction

Clathrates are inclusion compounds which are built up from topologically sub-nanoporous host frameworks that entrap guest atoms and molecules of suitable size into cage-like voids. Various clathrates have gained interest because of their application as potential materials for gas storage and gas separation of H₂ as well as the greenhouse gases CO₂ and CH₄ (Burggraaf et al., 1998 ; Algieri et al., 2003 ; Min et al., 2003 ; Navrotsky et al., 2003 ; van den Berg et al., 2004 , 2005 ; Hong et al., 2005 ; House et al., 2006 ; Di Profio et al., 2007 ; Dong et al., 2008 ; Kanezashi et al., 2008 ; Zheng et al., 2008 ; Eslamimanesh et al., 2012 ). The cages have small pore openings and so guest species are trapped inside the crystal structure; thus, diffusion of the atoms and molecules out of the cages is slow in comparison with most microporous zeolite structures (Binder et al., 2013 ; Hu et al., 2014 ; Fujiyama et al., 2015 ; O'Malley et al., 2016 ). Clathrate frameworks consisting of only SiO₂ are referred to as clathrasils. They exhibit structural analogs to H₂O-ice phases which are also observed for several other SiO₂ phases (Kamb, 1965 ). The three clathrasils found in nature to date, melanophlogite (MEP-framework topology) (Gies, 1983 ; Nakagawa et al., 2001 ), chibaite (MTN-framework topology known from the zeolites ZSM-39, CF-3, dodecasil-3C and holdstite) (Baerlocher et al., 2007 ; Momma et al., 2011 ) and bosoite (DOH-framework) (Momma et al., 2011, 2014 ), were proven to be isostructural with the gas–hydrate structure types sI, sII and sH. Clathrasils are found in marine sediments related to low-temperature hydrothermal processes of convergent plate boundaries (Momma et al., 2011; Momma, 2014 ; Likhacheva et al., 2016 ).

Following the structural description reported (Brooks et al., 1984 ; Lu et al., 2007 ; Momma et al., 2011), the sII-type representative chibaite studied here is built up from a three-dimensional framework of corner-sharing [SiO₄] tetrahedra forming two different cage types, the smaller pentagon-dodecahedra [5¹²]-cages and the larger hexadecahedra [5¹²6⁴]-cages (superscripts indicate the number of pentagonal and hexagonal faces of the cage). The cages are reported to incorporate the guest molecules N₂, CO₂ and small hydrocarbons including methane (CH₄), ethane (C₂H₆), propane (C₃H₈) and isobutane (i-C₄H₁₀) (Momma et al., 2011; Likhacheva et al., 2016). Only hydrogen bonds and weak van der Waals interactions act between the guest molecules and the framework. These molecules presumably serve as templates during the crystallization of the clathrasil host structures in order to stabilize the sub-nanoporous framework that is known for gas hydrates (Gies et al., 1982 ; Navrotsky et al., 2003). Analogous to gas hydrates, the occurrence of the smaller hydrocarbons CH₄ and C₂H₆ promotes the crystallization of sI structures, and the addition of the larger hydrocarbons C₃H₈ and i-C₄H₁₀ promotes the crystallization of sII and sH structures (Davidson et al., 1986 ; Kvenvolden, 1995 ; Lu et al., 2007).

The ideal formula of the apparent cubic chibaite is SiO₂·(M¹²,M¹⁶), with M^x being the guest molecule in the corresponding x-faced polyhedral cage. The highest possible space-group symmetry of the sII framework (MTN-framework topology) is $[Fd{\overline 3}m]$ (Könnecke et al., 1992 ). However, the true symmetry appears to depend on temperature (Gies, 1983; Könnecke & Fuess, 1995 ), pressure (Tribaudino et al., 2010 ) and the type of guest species as well as its orientation (Momma et al., 2013 $[Momma, K., Miyawaki, R., Kuribayashi, T. & Nagase, T. (2013). Editors. Single-Crystal X-ray Diffraction Experiments of Silica Clathrate Minerals. Photon Factory Activity Report No. 31. Photon Factory, Japan.]$ ; Momma, 2014). Various low-symmetry structures of dodecasil-3C, the synthetic analog of chibaite, correspond in an inconsistent fashion to subgroups of the ideal $[Fd{\overline 3}m]$ framework (Gies, 1984 ; Chae et al. 1991 ; Könnecke et al., 1992; Könnecke & Fuess, 1995; Knorr & Depmeier, 1997 ). Moreover, several studies describe a temperature-induced phase transition of dodecasil-3C (Gies, 1984; Ripmeester et al., 1988 ; Tse et al., 1993 ; Könnecke & Fuess, 1995). The displacive distortions are presumably induced by the distribution and ordering of the entrapped guest molecules.

The aim of this study was to investigate the crystallography of chibaite single crystals from a new locality in Nagano Prefecture, Japan. A detailed study focused on formation and chemical characterization is in progress. By applying low-temperature conditions in the range from 293 to 83 K, the structural evolution of this complex host–guest clathrasil structure is described.

2. Materials and methods

The studies were performed on two small (111)-oriented double-sided polished crystal platelets (each of about 80 × 50 × 40 µm in size) prepared from a natural chibaite crystal. The specimens were carefully inspected with regard to crystal quality, optical homogeneity and crystal impurities using the highest magnification (120×) of a stereomicroscope at room temperature (RT). No domains or related microstructures nor inclusions nor birefringence were observed under polarized light.

Raman spectroscopy was performed using a Jobin–Yvon Horiba LabRam HR800 instrument equipped with a CCD detector, operated in confocal mode. The measurements were carried out using a 50× long-working-distance objective and setting a grating with 1800 grooves mm⁻¹. The spectral resolution was calibrated with the Rayleigh line of the laser resulting in a resolution better than 0.5 cm⁻¹. The sample was excited with a 532 nm laser, providing about 34 mW on the sample surface. Spectra were collected at RT as well as at low temperatures (LT) down to 83 K. LT measurements were performed using a Linkam FTIR 600 liquid nitrogen cooling stage, which enabled temperature (T) control with an accuracy better than ±2 K. Raman spectra were collected in the frequency range from 60 to 3600 cm⁻¹ with 60 s counting time and two accumulations. In order to evaluate band positions and full widths at half maxima (FWHM), the recorded bands were fitted with the program PeakFit (Systat Software, 2007 ) after subtracting the background by assuming Lorentzian–Gaussian band shapes and applying the Gauss–Lorentz area method.

Afterwards, a platelet from the same crystal used for the Raman measurements was selected and mounted on a glass fiber for single-crystal X-ray diffraction (sXRD) investigations. Precise unit-cell parameters at RT were determined from the peak profiles of strong sXRD Bragg reflections. These were measured using the eight-position centering technique with a Huber 5042 four-circle diffractometer (non-monochromated Mo radiation, conventional sealed tube source). The setting angles of 22 non-equivalent reflections in the 2θ range from 7 to 30° were determined by applying the peak-fitting algorithm implemented in the SINGLE software (Angel & Finger, 2011 ).

Both sXRD intensity data sets and unit-cell parameters under LT conditions were measured using a StoeStadiVari diffractometer, equipped with a Dectris Pilatus 300K pixel detector and operated with monochromated Mo Kα radiation from a 100 W air-cooled Incoatec IμS micro-focus X-ray tube (50 kV, 1 mA). The temperatures 293, 273, 250, 200, 150 and 100 K were maintained using the flowing N₂ gas cooling device from Oxford Cryosystems Ltd, which is stable within ±0.1 K. ω scans at different χ and φ positions with a scan width of 0.5° were used to optimize the coverage of the full sphere of the reciprocal space. A detector-to-crystal distance of 60 mm was set for all measurements. Data processing (indexing, integration, Lorentz polarization correction) was performed using the X-AREA software (Stoe & Cie, 2002 ). Owing to the low absorption coefficient of the sample material (μ = 6.24 cm⁻¹), only a multi-scan absorption correction by means of frame scaling was applied. Details of the instrumental settings for individual intensity data collections and information on the data processing are summarized in Table 1. Structure refinements were performed using the program SHELXL97 (Sheldrick, 2008 , 2015 ) and the OLEX² software (Dolomanov et al., 2009 ) after data reduction with the X-AREA software (Stoe & Cie, 2002). Neutral atomic scattering factors were taken from the International Tables for X-ray Crystallography (Maslen et al., 2004 $[Maslen, E. N., Fox, A. G. & O'Keeffe, M. A. (2004). Intensity of Diffraction Intensities. In International Tables for Crystallography, Vol. C, 3rd ed., edited by E. Prince, ch. 6.1.1, pp. 554-590. Chichester: Wiley.]$ ). The linear thermal expansion coefficient fitted to the series of unit-cell-volume data points followed the Kroll formalisms (Kroll et al., 2012 ) implemented in the software EoSFit7 (Angel et al., 2014 ).

Table 1
X-ray intensity data collections and single-crystal structure refinements of chibaite in the temperature range from 293 to 100 K

Refinements were carried out in the space groups $[Fd{\overline 3}m]$ (No. 227) and A2/n (No. 15); β_monoclinic = 109.47°, a_mon = c_mon = (a_cub/2) × 2^1/2 × 3^1/2, b_mon = (a_cub/2) × 2^1/2, β = 2arctan 2^1/2 = 109.47°, Z_cub = Z_mon = 136 [SiO₂·x (CH₄, C₂H₆, C₃H₈, i-C₄H₁₀, CO₂, Na)].

Temperature (K)	293		273		250		200		150		100
a_cubic (Å)	19.4420 (15)		19.4214 (15)		19.4199 (15)		19.3944 (15)		19.3944 (15)		19.3944 (15)
V_cubic (Å³)	7348.9 (17)		7325.6 (17)		7323.9 (17)		7295.1 (17)		7295.1 (17)		7295.1 (17)
a_monoclinic (Å)	23.812 (2)		23.786 (2)		23.7844 (3)		23.834 (5)		23.834 (3)		23.7054 (2)
b_monoclinic (Å)	13.7476 (11)		13.7330 (11)		13.732 (5)		13.760 (5)		13.760 (5)		13.6861 (11)
c_monoclinic (Å)	23.812 (2)		23.786 (2)		23.784 (3)		23.833 (3)		23.833 (3)		23.7051 (2)
Scan time (s)/width (°)	120/0.5		40/0.5		40/0.5		40/0.5		40/0.5		40/0.5
Collected frames	910		1408		1408		1408		1408		1408
Space group symmetry	$[Fd{\overline 3}m]$	A2/n	$[Fd{\overline 3}m]$	A2/n	$[Fd{\overline 3}m]$	A2/n	$[Fd{\overline 3}m]$	A2/n	$[Fd{\overline 3}m]$	A2/n	$[Fd{\overline 3}m]$	A2/n
Measured reflections	30717	–	30687	–	30685	84218	30560	92816	30481	92644	30099	93896
Unique reflections	721	–	722	–	722	10601	720	12998	721	12943	718	12953
Reflections \|F_o\| > 4σ	591	–	638	–	688	4856	699	6288	695	7599	695	7878
R_int†	0.096	–	0.106	–	0.21	0.162	0.254	0.085	0.303	0.113	0.33	0.138
R₁‡ (\|F_o\| > 4σ)	0.055	–	0.080	–	0.167	0.21	0.20	0.18	0.22	0.116	0.23	0.120
R₁‡ (all data)	0.067	–	0.088	–	0.172	0.34	0.20	0.30	0.23	0.173	0.24	0.172
wR₂§ (all data)	0.133	–	0.16	–	0.32	0.280	0.38	0.278	0.415	0.186	0.43	0.199
GooF¶	1.11	–	1.26	–	1.28	3.11	1.29	2.91	1.20	1.98	1.14	2.00
Variable parameters	46	–	46	–	44	210	44	214	44	533	50	533
Extinction	0.00036 (9)	–	0.00035 (9)	–	0.0009 (3)	n.d.	0.0013 (3)	n.d.	0.0017 (4)	n.d.	0.0039 (7)	n.d.
Electron density min, max (e Å⁻³)	−1.24 1.01	–	−1.26, 0.97	–	−5.98, 1.21	−2.90, 10.05	−6.63, 1.43	−2.65, 6.88	−7.50, 1.57	−2.23, 2.18	−5.89, 1.50	−2.16, 2.19
Violations d-glide plane	0	–	18	–	323	–	472	–	556	–	585	–
Twin fraction (only in A2/n)	–	–	–	–	–	0.674 (4)	–	0.518 (4)	–	0.165 (2)	–	0.155 (2)

†R_int = $[\sum]$ ∣F_o²−F_o²(mean)∣/ $[\sum]$ F_o².
‡R₁ = $[\sum]$ (∣∣F_o∣-∣F_c∣∣)/ $[\sum]$ F_o.
§wR₂ = [ $[\sum]$ w(F_o²−F_c²)²/ $[\sum]$ ∣wF_o⁴]^1/2.
¶GooF = { $[\sum]$ [w(F_o²−F_c²)²]/(n−p)}^0.5.

3. Results

3.1. Guest molecules and their distribution

Raman spectroscopy has proven to be a convenient method for the characterization of guest molecules in clathrate phases. It not only allows for the identification of the molecular guest species (Yagi et al., 2007 ; Tribaudino et al., 2008 ; Bourry et al., 2009 ), but also their assignment to distinct cage types (Sum et al., 1997 ; Subramanian & Sloan, 2002 ; Hirai et al., 2010 ; Momma et al., 2011). Moreover, minor changes in the local environment that can be attributed to distinct temperature and pressure conditions are recognizable (Shimizu, 2003 ; Machida et al., 2006 ; Gatta et al., 2014 ; Likhacheva et al., 2016). Fig. 1 shows the Raman spectrum of chibaite at RT. The positions of the Raman bands belonging to the guest molecules are listed in Table 2. Fig. 2 shows the series of Raman spectra at LT. Fig. 3 displays the variation of the band positions assigned to the hydrocarbons as a function of T.

Table 2
Individual Raman vibrations of the guest molecules and their assignment to the two types of framework cages at T = 293 K

Guest molecule	Vibration	Cage type	ν_guest (cm⁻¹)
Isobutane, i-C₄H₁₀ (Klapp et al., 2010)	C—C symmetric stretching	[5¹²]	804.8 (5)
		[5¹²6⁴]	811.6 (5)
Propane, C₃H₈ (Sum et al., 1997)	C—C symmetric stretching	[5¹²]	871.8 (5)
		[5¹²6⁴]	891.2 (5)
Ethane, C₂H₆ (Klapp et al., 2010)	C—C symmetric stretching (ν₃)	[5¹²]	988.9 (5)
		[5¹²6⁴]	997.8 (5)
Methane, CH₄ (Sum et al., 1997)	C—H symmetric stretching (ν₁)	[5¹²]	2907.5 (5)
	Overtone of C—H asymmetric bending vibration (2ν₂)	[5¹²]	3049.8 (5)
N₂ (Tribaudino et al., 2008)		[5¹²]	2322.3 (5)
CO₂ (Charlou et al., 2004)	Fermi dyad (ν_c−) and (ν_c+)	[5¹²]	1271.9 (5)
			1380.0 (5)

Figure 1
Raman spectrum of chibaite under ambient conditions. The two inserts represent the enlarged cut-outs of 700–1500 cm⁻¹ and 2800–3100 cm⁻¹ containing the hydrocarbon C—C and C—H stretching vibrations. The labeling of the allocated major bands corresponds to the respective molecule and the cage types (see Table 2

) (Sum et al., 1997

; Charlou et al., 2004

; Tribaudino et al., 2008

; Klapp et al., 2010

; Momma et al., 2011

; Likhacheva et al., 2016

Figure 2
Selected ranges of the Raman spectra between 293 and 83 K. (a) SiO₂-framework vibrations (60–500 cm⁻¹), (b) C—C stretching vibrations (770–1080 cm⁻¹), (c) C—H stretching vibrations (2800–3100 cm⁻¹).

Figure 3
Raman shift of the bands assigned to the individual guest molecules and their evolution with decreasing T (relative to RT): (a) CH₄, (b) C₂H₆, (c) C₃H₈ and (d) i-C₄H₁₀. Black squares correspond to the bands assigned to the [5¹²] cage, gray squares to those of the [5¹²6⁴] cage. The ESDs are smaller than the symbol size.

The recorded Raman spectra contain three spectral ranges of particular interest: (i) the SiO₂-framework vibrations between 60 and 700 cm⁻¹, (ii) the C—C stretching vibrations between 700 and 1100 cm⁻¹, and (iii) the C—H stretching vibrations between 2800 and 3100 cm⁻¹ (Fig. 1). The analysis of the spectral range assigned to the framework vibrations has not yet been discussed in any previous studies. The spectral ranges of the C—C and C—H stretching vibrations were not only used to identify hydrocarbon guest molecules in gas hydrates and clathrasils, but also to allocate them to distinct cages within the host framework. In accordance with Kolesov & Geiger (2004 ), the positions of the Raman bands assigned to the distinct guest molecules are shifted to lower Raman shifts relative to the bands assigned to the same molecules in the gas phase because of the interaction between the molecules and the framework. The different sizes of the two cages influence the vibration of the molecules to a different degree. The interactions between the framework and molecules are stronger within the small [5¹²] cages, causing band positions with higher Raman shifts with respect to those in the larger [5¹²6⁴] cages. Consequently, if the molecules are distributed in both cage types, the Raman bands are split (Subramanian & Sloan, 2002).

The Raman bands of this study were assigned to methane (CH₄) (Sum et al., 1997), ethane (C₂H₆) (Klapp et al., 2010 ), propane (C₃H₈) (Sum et al., 1997), isobutane (i-C₄H₁₀) (Klapp et al., 2010), CO₂ (Charlou et al., 2004 ) and N₂ (Tribaudino et al., 2008) (Table 2, Fig. 1). The C—H stretching vibration ν₁ of CH₄ shows only one single band at 2907.5 (5) cm⁻¹ as a result of the molecule being exclusively entrapped in the [5¹²] cages (Momma et al., 2011; Likhacheva et al., 2016). The band at 3049.8 (5) cm⁻¹ is assigned to the overtone of the C—H asymmetric bending vibration belonging to the CH₄ molecule (2ν₂) (Momma et al., 2011). Unfortunately, it was not possible to assign the residual C—H stretching vibrations to the larger hydrocarbons because of their complex spectra and extensive overlapping. The bands assigned to the C—H vibration of CH₄ are not split, whereas the bands belonging to the C—C stretching vibrations of C₂H₆, C₃H₈ and i-C₄H₁₀ are split into two components, indicating that the three larger hydrocarbons are located in both cage types.

The relative distribution of the guest molecules was estimated according to the ratios of the integrated intensities of the Raman bands. The intensities of the bands assigned to the molecules located in the smaller [5¹²] cages are always higher than those belonging to the molecules located in the larger [5¹²6⁴] cages. The intensity ratios of the [5¹²] cage to the [5¹²6⁴] cage are: ∼6.6:1 for C₂H₆, ∼6:1 for C₃H₈ and ∼2:1 for i-C₄H₁₀. In the sII-type framework, the number of [5¹²] cages relative to [5¹²6⁴] cages is 2:1. Thus, the intensity ratio suggests that C₂H₆ and C₃H₈ occupy the small cages about three times more often than the large cages; in contrast, the larger hydrocarbon i-C₄H₁₀ seems to be distributed equally between the two different cage types.

The Raman bands at 1271.9 (5) and 1380.0 (5) cm⁻¹ are assigned to the Fermi dyads (ν_c−) and (ν_c+) of the CO₂ vibrations, and the band at 2322.3 (5) cm⁻¹ to N₂ (Tribaudino et al., 2008). No splitting was observed for either species.

3.2. Evolution of the Raman spectra under LT conditions

Figs. 2 and 3 show the changes of the Raman spectra with T from 293 to 83 K. At RT, the SiO₂-framework vibrations yield three broad but prominent bands located at ∼155, ∼230 and ∼360 cm⁻¹, and two small bands at ∼310 and ∼430 cm⁻¹. As T decreases, these bands sharpen and evolve into several split components and shoulders of smaller FWHMs, indicating a lowering of the symmetry. The spectral evolution with decreasing T does not reveal any obvious discontinuity indicative of a distinct and spontaneously occurring phase transition. Results indicate a continuous distortion of the host framework which becomes stronger as T decreases. The occurrence of birefringence and the formation of crystallographic domains on a microscopic scale at T ≤ 123 K are a further proof for the lowering of symmetry at LT.

The Raman shifts and intensities of the Raman bands assigned to the guest molecules decrease with increasing T (Figs. 2 and 3) as a result of the damped resonance amplitude and reduced vibration energy of the molecules. The redshifts of the bands assigned to the C—C vibrations vary with the presence of different hydrocarbons (C₂H₆, C₃H₈ and i-C₄H₁₀) and cage types (Fig. 3). The CH₄ molecules, which are located exclusively in the [5¹²] cages, reveal a small but near-linear shift. This is caused by a minor change in the interaction between the framework and the molecule in the center of the cage. Therefore, the relative slope of the Raman shift of CH₄ from 293 to 83 K is almost negligible compared with the spectral changes of the other hydrocarbon molecules. Owing to the smaller kinetic diameter of C₂H₆ compared with i-C₄H₁₀ and C₃H₈, the influence of the interaction with the surrounding SiO₂-framework is much less significant and leads to a gentler slope. The change of the Raman shifts of C₂H₆ and i-C₄H₁₀ with T is more prominent for the molecules located in the [5¹²6⁴] cage compared with those located in the [5¹²] cage, which differs from what can be observed for C₃H₈.

3.3. Lattice metrics and space-group symmetry

The optical properties of the crystals under crossed polarizers suggest a cubic symmetry, which is supported by the measurements performed using the high-resolution Huber diffractometer resulting in cubic lattice metrics. The parameters and their estimated standard deviations (ESDs) obtained from the symmetry-unconstrained triclinic refinement at RT are: a = 19.442 (2), b = 19.445 (2), c = 19.443 (2) Å, α = 90.013 (9), β = 90.010 (11), γ = 90.006 (11)° and V = 7350.4(1.4) Å³. The values of all unit-cell axes are equivalent within their ESDs and the deviation of the angles from the ideal 90° is less than 1.5σ, i.e. <0.013°. The refinement constrained to cubic symmetry finally yielded: a = 19.4447 (10) Å and V = 7351.9(1.2) Å³. The LT data collected on the StadiVari system were also carefully evaluated with respect to a potentially lower symmetry. However, no significant deviation from the cubic cell metric is observed at any T measured down to 100 K (Table 1). The unit-cell volume steadily decreases without any detectable discontinuity. There is no evidence for a discrete phase transition or any sudden structural transformation associated with a change in the cell volume. The corresponding linear expansion coefficient determined by linear regression on the unit-cell volumes yields α = 7.8 (2) × 10⁻⁶ K⁻¹.

First, all diffraction patterns were indexed based on the cubic unit-cell axes according to these findings. The systematic absences of the measurements at RT are consistent with the extinction group $[Fd{\overline 3}{\hbox{-}}]$ , which is in accordance with earlier structure refinements of dodecasil-3C in the space groups $[Fd{\overline 3}m]$ and $[Fd{\overline 3}]$ (Gies, 1984; Könnecke et al., 1992). Although the reliability factors of the RT structure refinement of an analogous holohedral cubic model $[Fd{\overline 3}m]$ with 46 variable parameters provided quite reasonable results (R = 0.055, wR = 0.133, GooF = 1.11), the respective factors progressively increase with decreasing T (Table 1). When comparing the corresponding reflection conditions of the individual data sets, it appears that the d-glide plane is consistently violated at LT. The intensities of systematically forbidden reflections become stronger and their numbers increase continuously from 0 at RT to 585 reflections at 100 K (Table 1). The reflection statistics of the data reduction, as well as a careful inspection of the reciprocal space, do not indicate any violation of the F centering. However, the averaging of symmetry-equivalent reflections based on cubic Laue symmetry yields unusually high values of R_int, again increasing steadily from R_int = 0.096 at RT to 0.33 at 100 K.

Reconstructed diffraction patterns of the reciprocal space reveal weak superstructure reflections, which show increasing intensity with decreasing T (Fig. 4). The superstructure reflections occur in all three main directions along a*, b* and c* with respect to the cubic 19.4 Å basis vectors, i.e. in the corresponding $[{n'\over 2} \, k \, l]$ , $[h \, {n'\over 2} \, l]$ and $[h \, k \, {n'\over 2}]$ sections with n′ = 2n + 1. Sections parallel to hk0 in a sequence along c* reveal the monoclinic Laue symmetry 2/m. This seems to be most obvious regarding the subset of weak intensities in the layers where l = 2n + 1 (Fig. 4). The orientation of the unique monoclinic mirror plane matches the reciprocal hhl lattice-plane direction. At the same time, integral as well as zonal extinctions within the reciprocal-space planes parallel to hhl suggest a base-centered monoclinic supercell and the existence of a glide plane (Fig. 4). Together with the twinning according to

$[\pmatrix {0 & 0 & -1 \cr 0 & 1 & 0 \cr -1 & 0 & 0}]$

of the monoclinic setting, the arrangement of the reflection conditions suggests the space-group symmetry A2/n (i.e. non-standard setting of C2/c, which requires β = 125.26°). Consequently, the transformation matrix from the cubic $[Fd{\overline 3}m]$ to the monoclinic A12/n1 setting is

$[\let\normalbaselines\relax\openup4pt\pmatrix {\hfill{1\over2} & \hfill 1 & \hfill{1\over2} \cr \hfill{1\over2} & \hfill 0 & \hfill-{1\over2} \cr \hfill{1\over2} & \hfill -1 & \hfill{1\over2}},]$

with a′ = c′ = a_cub/2 × 2^1/2 × 3^1/2 = 23.7051 Å, b′ = a_cub/2 × 2^1/2 = 13.6861 Å and β′ = 2arctan 2^1/2 = 109.47° (Figs. 5 and 6). The unit-cell volume of the monoclinic A-centered cell is equivalent to that of the cubic F-centered cell.

Figure 4
Reciprocal space of the sXRD data measured at 100 K reconstructed in sections perpendicular to c* ( $[Fd{\overline 3}m]$ setting). The image cutouts correspond to −14 ≤ h, k ≤ 14, each centered at 00l. The layers hk0, hk1 and hk2 represent only reflections occurring in the cubic parental structure. The weak superstructure reflections (in layers with l = 1/2, 3/2, 5/2,… only) indicate Laue symmetry 2/m and twinning (marked by the twin plane m).

Figure 5
Reconstructed reciprocal space at 100 K; the orientation parallel to the (hhl) ( $[Fd{\overline 3}m]$ setting) and (010) planes (A2/n and C2/c setting), respectively. (a) Section centered in 000 (= O*). (b) Section centered in 220. (c) Axes directions are indicated in a corresponding schematic drawing of the reciprocal lattice. The cubic basis vectors ( $[Fd{\overline 3}m]$ ) are represented by black arrows, and the reduced monoclinic A2/n and the standard monoclinic C2/c settings are given in blue and green, respectively. Twin domains following the twin law for the A2/n setting (0 0−1 / 0 1 0 / −1 0 0) are shaded. Reciprocal-lattice points corresponding to weak superstructure reflections are marked by small black dots. o and e mark strong reflections occurring in odd planes only or even planes only, respectively; e′ and o′ mark reflections missing in the equatorial plane for space group $[Fd{\overline 3}m]$ according to the reflection conditions of the d-glide plane (k + l = 4n for 0kl).

Figure 6
Relationship between the $[Fd{\overline 3}m]$ unit cell (a ≃ 19.4 Å, displayed in black) and the monoclinic A2/n cell (a′ = c′ ≃ 23.7 Å and b′ ≃ 13.7 Å, in blue; analogous C2/c setting in green). The identical lattice points of the cubic F lattice and the monoclinic A lattice are marked by yellow spheres. Gray spheres in the $[Fd{\overline 3}m]$ cell lose translation identity in A2/n and C2/c.

3.4. The A2/n structure model at 100 K

The data set collected up to sinθ/λ = 0.771 Å⁻¹ at 100 K [i.e. 93896 individual reflections, merged to a set of 7878 unique data with F_o > 4σ(F_o) classified as observed] yields an acceptable value of R_int = 0.138 for the Laue symmetry 2/m. After several refinement cycles of the 52 framework-atom positions, a total of 16 extra-framework positions were extracted from the difference Fourier summation. The anisotropic displacement parameters (ADPs) U_ij for all framework atoms were refined. The refinement of, in total, 533 parameters, including the twin fraction with the above-mentioned twin law, converged to an R₁ value of 0.120 with a final residual electron density of ±2.2 e Å⁻³ (Table 1). The values of the refined atomic parameters of the twinned A2/n model are listed in Table S1 of the supporting information. A summary of the ranges of the bond distances and the bond angles between framework atoms is provided in Table 3.

Table 3
Interatomic bond lengths (Å) and bond angles (°) of chibaite

Tentative C—C bond distances are given in the range 1.40–1.60 Å. At 100 K, variation of the individual and the average bond distances and angles are given as ranges with the minimum and maximum values for the crystallographically independent 12 Si1xO₄, four Si2xO₄ and the one Si3O₄ unit. The variation of the individual and average values corresponds to the range for 13 O1x, 12 O2x, 6 O3x and 4 O4x atoms.

(a) 293 K (space group $[Fd{\overline 3}m]$ )

[5¹²]-cage center corresponds to C1; [5¹²6⁴]-cage center located at 8b (= 3/8 3/8 3/8) with site symmetry $[{\overline 4}3m]$ .

Framework atoms
Si1—O2	1.569 (4)		O—Si1—O	108.7 (3)–110.3 (3)
Si1—O1	1.5780 (8)	2×	O—Si2—O	108.4 (2)–110.6 (2)
Si1—O3	1.5831 (11)		O—Si3—O	109.47
Si2—O4	1.536 (7)		Si1—O1—Si1	168.8 (4)
Si2—O2	1.555 (4)	3×	Si1—O2—Si2	179.2 (5)
Si3—O4	1.538 (7)	4×	Si1—O3—Si1	174.9 (4)
〈Si—O〉	1.560		〈Si—O—Si〉	174.3
Na—O1	2.564 (5)	6×	Si2—O4—Si3	180

Extra-framework atoms
C1—O	3.971 to 4.313	8(b)—O	4.893 to 5.067
〈C1^[30]—O〉	>4.133	〈8(b)^[42]—O〉	>4.962

C2a—C2d	1.51 (7)	C2d—C2e	1.51 (8)
C2b—C2e	1.48 (6)	C2d—C2a	1.51 (7)
C2b—C2d	1.58 (7)	C2d—C2b	1.58 (7)
C2c—C2e	1.44 (4)	C2e—C2c	1.43 (4)
C2c—C2d	1.49 (3)	C2e—C2b	1.48 (6)
C2c—C2e	1.55 (8)	C2e—C2d	1.51 (8)
		C2e—C2c	1.55 (8)

(b) 100 K (space group A2/n)

[5¹²]-cage center corresponds to C1a, C1b, C1c, C1d; [5¹²6⁴]-cage center located at position 8(f) (0.23 0.00 0.43), site symmetry $[{\overline 4}3m]$

Framework atoms
Si1x—Ox	1.566 (10)–1.629 (9)	〈Si1x—Ox〉	1.581–1.601
Si2x—Ox	1.568 (11)–1.596 (10)	〈Si2x—Ox〉	1.582–1.584
Si3x—Ox	1.569 (11)–1.612 (8)	〈Si3—O4〉	1.588
Ox—Si1x—Ox	105.5 (5)–112.1 (5)	〈Ox—Si1x—Ox〉	109.43–109.47
Ox—Si2x—Ox	106.3 (7)–112.2 (5)	〈Ox—Si2x—Ox〉	109.45–109.46
O4x—Si3—O4x	107.4 (6)–111.1 (6)	〈O4x—Si3—O4x〉	109.46
Si1x—O1x—Si1x	149.3 (6)–173.6 (9)	〈Si1x—O1x—Si1x〉	160.8
Si1x—O2x—Si2x	151.2 (7)–168.5 (9)	〈Si1x—O2x—Si2x〉	156.9
Si1x—O3x—Si1x	161.7 (8)–176.5 (3)	〈Si1x—O3x—Si1x〉	171.3
Si2x—O4x—Si3	146.8 (5)–156.5 (9)	〈Si2x—O4x—Si3〉	151.2

Extra-framework atoms
C1a—O	3.584–4.650	〈C1a^[30]—O〉	>4.141
C1c—O	3.665–4.516	〈C1c^[30]—O〉	>4.152
C1b—O	3.630–4.684	〈C1b^[30]—O〉	>4.133
C1d—O	3.632–4.703	〈C1d^[30]—O〉	>4.135
8(f)—O	4.554–5.470	〈8(f)^[42]—O〉	>4.970
C2b—C2c	1.41 (8)	C2d—C2i	1.49 (9)
C2c—C2j	1.58 (9)	C2g—C2i	1.47 (9)

During symmetry lowering to A2/n, the crystal structure develops four crystallographically independent pentagon-dodecahedral [5¹²] cages (Fig. 7); however, for the larger hexadecahedra [5¹²6⁴] cages, a single type is maintained. The C1 positions are assigned to the four [5¹²] cages (labeled C1a to C1d), and a total of 12 C2 positions are located inside the [5¹²6⁴] cage (labeled C2a to C2l) (Fig. 8). The four C1 sites correspond to the four individual [5¹²] cage centers, each located either on an inversion center or on a twofold axis. First, their site occupancy factors (SOFs) were released in the refinement, while the U_iso values were fixed to 0.05 Å². As the SOFs converged to 1.0 within their ESDs, the refinement procedure was changed: the SOFs of the four C1 atoms were kept fixed and their ADPs were allowed to vary. The position of the C1 atoms likely represents the barycenter of the molecules CH₄, C₃H₈, i-C₄H₁₀ and CO₂. The interatomic distances of these C1 centers to the framework O atoms is ≥3.57 Å. As a result of the low and rather diffuse residual electron density in the immediate vicinity of the C1 centers, it is not possible to localize further distinct positions inside the [5¹²] cages. The molecules might be statistically distributed without any coherent preferred alignment across the crystal. The SOFs of the 12 assigned C2 positions inside the [5¹²6⁴] cage vary between ∼19% and ∼43% (Table S1), and their U_iso values were again fixed to 0.05 Å². All C2 sites are within a spherically shaped area located between 1.24 and 2.30 Å off the virtual center of the [5¹²6⁴] cage (i.e. at x = 0.32, y = 0, z = 0.43) corresponding to distances ≥3.11 Å from the framework O atoms (Fig. 8). As a result of the partial site occupation, the ESDs of the positional parameters are high and thus a reliable assignment to individual molecules is not possible from the obtained data. Fig. 8 provides a presentation of all possible C—C bonds in the range between 1.4 and 1.6 Å, which might be considered for the assignment of distinct hydrocarbon species. Difference Fourier summations of the LT data show high residual electron densities close to the O atoms monitoring displacive dislocation and unconsidered twin components.

Figure 7
Comparison of the [5¹²]- and [5¹²6⁴]-type cages at (a) T = 100 K (A2/n), and (b) 293 K ( $[Fd{\overline 3}m]$ ). Small red spheres represent the O atoms, and the large blue spheres are the Si atoms. Several Si—O—Si angles bend significantly in the LT form (100 K) in comparison with that at RT (293 K). (c) The four crystallographically different [5¹²]-type cages (100 K, A2/n), interconnected by sharing common five-membered ring units; the symmetry-released C1 atoms (labeled C1a, C1b, C1c, C1d) are located in the cage centers. All atoms are shown as 50% probability ellipsoids recalculated from the corresponding U_ij values. As a result of the strong bending of the Si—O—Si bond angles, the individual cages are subject to significant distortions at LT and the deviation from the (average) $[Fd{\overline 3}m]$ symmetry is evident.

Figure 8
Detail of the chibaite framework at T = 100 K (above) and 293 K (below): the [5¹²]- and [5¹²6⁴]-type cages are linked via five-membered rings. All framework atoms (Si: blue, O: red) and the fully occupied C1 position (yellow) are shown as 50% probability ellipsoids determined from the corresponding U_ij values. All partially occupied C2 positions (small yellow spheres) are located in the central region of the [5¹²6⁴] cage. The purple areas mark the six-membered ring units with the Na atoms and Na—O bonds (in purple).

3.5. The RT model with space group Fd $[{\overline 3}]$ m and the LT structure evolution

The refinement of the crystal structure from the data set collected at RT (293 K) was performed in the space group $[Fd{\overline 3}m]$ , starting from the seven framework-atom positions reported by Könnecke et al. (1992). The refinement of the framework atoms with ADPs of all atoms converged at R₁ = 0.083 and wR₂ = 0.252. Residual electron densities up to 4.62 e Å⁻³ were located within the [5¹²] cages and up to 1.37 e Å⁻³ within the [5¹²6⁴] cages, with a distribution similar to that found in melanophlogite (Tribaudino et al., 2008) and in the monoclinic LT structure. The C atoms were allocated to the centers of the residual electron densities. For their refinement, the SOFs were released and the U_iso values restrained to 0.05 Å² according to the refinement of the monoclinic structure. The fully occupied C1 atom site was assigned to the center of the [5¹²] cage at x = 0, y = 0, z = 0. The maxima located within the larger [5¹²6⁴] cage centered at 3/8, 3/8, 3/8 were assigned to the five partially occupied C2 atom positions (C2a to C2e, expanded by the space-group symmetry to 44 positions) (Table S1). Again, too many tentative C—C bonds do not allow assignment of individual atoms to distinct hydrocarbon molecules and hence do not provide clear evidence on individual alignments. The final refinement converged at R₁ = 0.055 and wR₂ = 0.133 for a total of 46 variable parameters including a scale factor and an extinction parameter (Table 1).

According to Momma et al. (2011), Na and Al are considered minor but essential constituents of chibaite. Based on electron-microprobe analyses, the authors gave the empirical formula for the host structure as Na_0.99(Si_134.53Al_1.63)O₂₇₂. This results in a moderate excess of cations; charge balance is achieved by Al³⁺ ions substituting the Si⁴⁺ ions. An additional weak maximum of the electron density (0.43 e Å⁻³) is located at 1/2, 1/2, 1/2, i.e. in the middle of the sixfold silicate rings linking the [5¹²6⁴] cages, which is ascribed to the small number of Na atoms (Fig. 8). A probable consequence of the lower resolution and some positional displacements was that the refinement of an analog position for Na atoms within the 100 K structure model was not possible. In zeolites, Na atoms are likely centered within sixfold silicate rings. The six Na—O1 bond lengths of 2.564 Å satisfy the crystal chemical requirements for charge balance. Moreover, the Si1—O1 bond length was found to be relatively long at 1.578 Å, and the Si1—O1—Si1 bond angle is slightly smaller compared with the two other angles at the bridging O atoms.

The X-ray diffraction images taken at RT exhibit an extremely slight increase in background in the regions where at LT the superstructure reflections are observed. Even though it was not possible to measure their intensities systematically, they indicate that the change of the structure type from $[Fd{\overline 3}m]$ to A2/n symmetry already starts above RT. It is supported by the high and strongly anisotropic disk-shaped displacement parameters observed, especially for the atoms O2 and O4 at RT.

3.6. The transformation path from space group Fd $[{\overline 3}]$ m to A2/n

Additional data sets were recorded in a series of different LT conditions, i.e. at 273, 250, 200 and 150 K. Although the data reduction based on cubic Laue symmetry is satisfactory for the measurements at T = 273 K, it yields increasingly strong misalignments with decreasing T as indicated by the increasing R_int values (Table 1). In addition, the intensities of the superstructure reflections become successively larger. For the data sets taken at T ≤ 250 K, the refinement in $[Fd{\overline 3}m]$ did not converge satisfactorily. The refinement of the C atom with the smallest SOF (C2a) did not converge and was therefore excluded. Likewise, it was not possible to refine the atomic coordinates of the atom C2b found in the 100 K data set. As dodecasil-3C was refined successfully in the space group $[Fd{\overline 3}]$ by Gies (1984), a similar approach was attempted. However, an analogous refinement of the chibaite structure using the data sets gathered at various T did not improve the results. Könnecke et al. (1992) discussed a model for calcined dodecasil-3C based on $[Fd{\overline 3}m]$ symmetry but with split positions for O2 and O3, as well as a release of the constraints of the atom O4. Accordingly, such a model was tested in this study. However, because of the extreme displacement of the O atoms occurring in a disk-shaped fashion, the refinement was not successful. The refinements in A2/n were possible only at T ≤ 250 K, with the reliability of the refinement increasing with decreasing T. At higher T, the superstructure reflections became too weak and could not be measured with sufficient significance. Since none of the cubic model variants converged for the measurements in the intermediate T range, and also since the refinements in A2/n did not result in a stable refinement with acceptable uncertainties, we refrain from presenting the results of these refinements. In our opinion, the results reflect that parts of the structure might be at least close to the $[Fd{\overline 3}m]$ symmetry and other parts or co-existing domains in the crystal might exhibit the monoclinic A2/n symmetry. Concurrently, the degree of the deviation from cubic symmetry (for domains) appears to be the subject of change.

4. Discussion

The single-crystal investigations of the naturally occurring sII-type hydrocarbon clathrasil, named chibaite, revealed a cubic $[Fd{\overline 3}m]$ symmetry at RT in accordance with the topology of the MTN-type framework (as a gas hydrate, it is denoted by the sII structure). The lattice metrics provided no indication of a significant deviation from the cubic geometry. This finding is in agreement with the crystallographic data previously reported for dodecasil-3C, i.e. the synthetic analog of chibaite with an sII-type framework (Gies, 1984). Nevertheless, several symmetry variants for dodecasil-3C were observed under ambient conditions, depending on the type of guest molecules (Gies, 1984; Chae et al. 1991; Könnecke et al., 1992; Könnecke & Fuess, 1995; Knorr & Depmeier, 1997; Momma et al., 2013 $[Momma, K., Miyawaki, R., Kuribayashi, T. & Nagase, T. (2013). Editors. Single-Crystal X-ray Diffraction Experiments of Silica Clathrate Minerals. Photon Factory Activity Report No. 31. Photon Factory, Japan.]$ ; Momma, 2014).

During this study, a change in the cubic symmetry of chibaite with decreasing T was detected. Supported by the observed optical anisotropy and the formation of crystallographic domains in single crystals, the evolution of the Raman spectra and X-ray diffraction patterns imply a lowering of symmetry with decreasing T from 293 to 83 K. The measurements reported in this study reveal a significant change in symmetry from cubic to monoclinic. However, it is not possible to assign the structural changes to a distinct critical T as would be expected for distinct phase transitions. Moreover, the observed evolution down to 100 K does not allow for establishing a transition pathway from the cubic aristotype $[Fd{\overline 3}m]$ structure to the monoclinic subgroup A2/n. As a result, a transition from a point group of order 48 to one of order 4 is caused directly. For further investigations of the transition path from space group $[Fd{\overline 3}m]$ to A2/n, refinement of the measurements of the LT structures with synchrotron radiation would be worthwhile.

The silicate framework of the RT structure with the space group $[Fd{\overline 3}m]$ is topologically equivalent to that of the A2/n model at 100 K. One remarkable difference is the change in the Si—O bond lengths that were recalculated from the refined atomic coordinates determined by X-ray investigations. For the cubic RT structure, the Si—O values range between 1.536 and 1.583 Å with a mean value 〈Si—O〉 of 1.560 Å. Thus, they are shorter than those observed in the monoclinic LT structure, which range from 1.566 to 1.629 Å with mean 〈Si—O〉 values between 1.581 and 1.602 Å (Table 3a). Furthermore, the bridging Si—O—Si angles are shallower in the cubic modification (169–180°) compared with the Si—O—Si angles of the monoclinic structure (149–177°; Figs. 7 and 8, Table 3a). The Si—O bond lengths and Si—O—Si angles of the cubic modification deviate from the values of stable silicate framework structures. Instead, they show typical values for clathrasil structures, e.g. dodecasil-3C with 〈Si—O〉 = 1.566 Å and 〈Si—O—Si〉 = 174.5° (Gies, 1984), or melanophlogite with 〈Si—O〉 = 1.578 Å and 〈Si—O—Si〉 = 16.3° (Tribaudino et al., 2008). In chibaite, they approach the values for common silicates at 100 K, where the Si—O bond distances average around 1.608 Å (Brown & Gibbs, 1969 ; Brown et al., 1969 ; Liebau, 1985 ) and the Si—O—Si angles around 144° (Tossell & Gibbs, 1978 ). Brown & Gibbs (1969), Brown et al. (1969) and Tribaudino et al. (2008) reported the relationship between Si—O bond lengths and Si—O—Si angles, concluding that large Si—O—Si angles correlate with small Si—O bond lengths. The short bond distances associated with straight or near-straight bridging angles between SiO₄ units of the RT chibaite indicate a high degree of displacement in a static and/or dynamic fashion. In particular, the bridging O atoms show large displacements exhibiting disk-like shapes of their ADPs. In both structures, the Si atom positions exhibit only a moderate mean displacement, whereas the positional shifts of the O atoms are rather pronounced. Their ADPs are large for the LT structure but display even higher values, along with a drastically higher anisotropy, at RT (Table S1). Consequently, the dynamic or even static displacement in the RT framework around the O atom barycenters is larger than in the LT phase. The structural changes are likely to originate from the instability of the cubic host framework at RT. The comparison of both structures is shown in Figs. 7 and 8. The transformation might also be triggered by the ordering and alignment of the guest molecules. Apart from CH₄, CO₂ and N₂, which probably exclusively occupy the smaller [5¹²] cage type, other hydrocarbon molecules (i.e. C₂H₆, C₃H₈, i-C₄H₁₀) are distributed between both cage types, i.e. [5¹²] and [5¹²6⁴], as derived from the Raman spectra in this study. A limiting factor for the occupation of the cages is their size. In the cubic phase, the diameters are 8.3 ± 3 Å for [5¹²] and 9.9 ± 4 Å for [5¹²6⁴], i.e. twice the value of the 〈i—O〉 distances, where i is the respective cage center (Table 3b). Considering the ionic radius of O^[2] atoms (1.35 Å) (Shannon, 1976 ), the effective diameters are ∼5.6 and ∼7.4 Å on average in the $[Fd{\overline 3}m]$ structure. The symmetry reduction resulting from the $[Fd{\overline 3}m]$ to A2/n transformation leads to a significant increase in distortion and, consequently, a larger range for individual i—O distances of the four individual [5¹²] cages (i.e. 3.6–4.7 Å), even if the average 〈C—O〉 bond lengths are consistent (4.13 Å in $[Fd{\overline 3}m]$ and 4.14–4.16 Å in A2/n). In contrast, the unique [5¹²6⁴] cage type remains rather regular (i—O range from 4.9 to 5.1 Å); the effective pore sizes range from 4.5 to 6.7 Å and from 7.1 to 7.4 Å for the [5¹²] and [5¹²6⁴] cages, respectively. With respect to the kinetic diameters of the hydrocarbons (3.8, 3.8, 4.3 and 5.0 Å; Breck, 1974 ) the distribution of the various hydrocarbon types seems possible. Even the largest hydrocarbon molecule i-C₄H₁₀, with its diameter of 5.0 Å, is still compatible with a location along the largest diameter of 6.7 Å inside the [5¹²] cage at LT. The formally calculated largest effective diameter in the RT structure with the space group $[Fd{\overline 3}m]$ for the [5¹²] cage is only ∼5.6 Å, and thus barely suitable for the larger hydrocarbons. However, the ADPs of the O atoms are up to 0.17 Å². Thus, the distribution of the various hydrocarbon types is compatible with both cages at RT as well as LT.

The assignment of distinct alignment positions of the molecules is not feasible because of the partial occupation and relatively high degree of freedom of displacement, resulting in large displacement parameters. Only the C1 positions in the centers of the [5¹²] cages are (almost) completely occupied over the whole T range investigated. However, the large correlation between the SOFs and the displacement parameters does not allow for a detailed allocation. The sites are assumed to be the barycenters of the CH₄, CO₂, C₃H₈, C₂H₆ or i-C₄H₁₀ molecules. The positions located within the larger [5¹²6⁴] cage exhibit much weaker electron densities as a result of extensive disorder. Therefore, they reveal only partial site occupancies and their assignment is not possible. For the structure model in space group $[Fd{\overline 3}m]$ , the located electron-density maxima and refined atomic sites are most likely a result of the varied occupation of symmetrically equivalent positions in distinct host-framework cages. It should be mentioned that most of the partially occupied positions within the [5¹²6⁴] cage are arranged close to a centered sphere with a radius of approximately 1.4 Å; this causes distances to neighboring O atoms of about 3 Å, which is in accordance with the expected values for C—H⋯O hydrogen bonds. However, in the space group A2/n, the maxima are unique and therefore their number is smaller. A high degree of dynamic disorder with respect to molecule orientation is assumed.

5. Conclusions

Raman and sXRD investigations of chibaite at RT and at various LTs down to 100 K revealed a continuous phase transformation over the investigated T range. In accordance with earlier studies, chibaite crystallizes in the space group $[Fd{\overline 3}m]$ at RT, the structure type of dodecasil-3C, consisting of an SiO₂ host with mainly hydrocarbon guest molecules. Extremely disk-shaped ADPs, especially for the O atoms, suggest a static or dynamic disorder and might indicate a structural instability. As T decreases, the high symmetry continuously decreases over a certain T range. A distinct T of the phase transition cannot be verified. Reconstructed X-ray diffraction patterns reveal weak superstructure reflections whose intensities increase with decreasing T. The transformation according to the transformation matrix

$[a_i' = \let\normalbaselines\relax\openup4pt\pmatrix {\hfill{1\over2} & \hfill 1 & \hfill{1\over2} \cr \hfill{1\over2} & \hfill 0 & \hfill-{1\over2} \cr \hfill{1\over2} & \hfill -1 & \hfill{1\over2}},]$

finally results in a monoclinic phase with A2/n symmetry, which is twinned according to the twin law

$[\pmatrix {0 & 0 & -1 \cr 0 & 1 & 0 \cr -1 & 0 & 0}.]$

Both cells with space groups $[Fd{\overline 3}m]$ and A2/n have analogous cell volumes. In A2/n, the host framework has Si—O bond lengths and Si—O—Si angles that are much closer to the values known for stable silicate-framework structures compared with the RT structure with the space group $[Fd{\overline 3}m]$ model. Surprisingly, band splitting in the Raman spectra suggests that the hydrocarbon guest molecules C₂H₆, C₃H₈ and i-C₄H₁₀ occupy both cages. The larger [5¹²6⁴]-type cage was found to be unique in both structure types. The [5¹²]-type cages (one crystallographically unique in $[Fd{\overline 3}m]$ , four different in A2/n) entrap the hydrocarbons CH₄, C₂H₆, C₃H₈ and i-C₄H₁₀. Small amounts of Na atoms are located in the centers of the six-membered rings which constitute the cage walls of the host.

Supporting information

CCDC references: 1854241; 1854242; 1854243; 1854244; 1854245; 1854246; 1854247; 1854248; 1854249; 1854250

Crystal structure: contains datablocks 293k, 273k, 250k_mcl, 250k_cubic, 200k_mcl, 200k_cubic, 150k_mcl, 150k_cubic, 100k_mcl, 100k_cubic. DOI: https://doi.org/10.1107/S2052252518009107/lt5009sup1.cif

Structure factors: contains datablock 293k. DOI: https://doi.org/10.1107/S2052252518009107/lt5009293ksup2.hkl

Structure factors: contains datablock 273k. DOI: https://doi.org/10.1107/S2052252518009107/lt5009273ksup3.hkl

Structure factors: contains datablock 250k_mcl. DOI: https://doi.org/10.1107/S2052252518009107/lt5009250k_mclsup4.hkl

Structure factors: contains datablock 250k_cubic. DOI: https://doi.org/10.1107/S2052252518009107/lt5009250k_cubicsup5.hkl

Structure factors: contains datablock 200k_mcl. DOI: https://doi.org/10.1107/S2052252518009107/lt5009200k_mclsup6.hkl

Structure factors: contains datablock 200k_cubic. DOI: https://doi.org/10.1107/S2052252518009107/lt5009200k_cubicsup7.hkl

Structure factors: contains datablock 150k_mcl. DOI: https://doi.org/10.1107/S2052252518009107/lt5009150k_mclsup8.hkl

Structure factors: contains datablock 150k_cubic. DOI: https://doi.org/10.1107/S2052252518009107/lt5009150k_cubicsup9.hkl

Structure factors: contains datablock 100k_mcl. DOI: https://doi.org/10.1107/S2052252518009107/lt5009100k_mclsup10.hkl

Structure factors: contains datablock 100k_cubic. DOI: https://doi.org/10.1107/S2052252518009107/lt5009100k_cubicsup11.hkl

Supplementary table. DOI: https://doi.org/10.1107/S2052252518009107/lt5009sup12.pdf

Computing details top

For all structures, program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: Olex2 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 (Dolomanov et al., 2009).

(293k) top

Crystal data top

0.01(C_10.91Na_0.5O₂₇₂Si₁₃₆)·0.36(C)	D_x = 1.947 Mg m⁻³
M_r = 63.35	Mo Kα radiation, λ = 0.71073 Å
Cubic, Fd3m	Cell parameters from 32037 reflections
a = 19.4420 (15) Å	θ = 3–67°
V = 7348.9 (17) Å³	µ = 0.70 mm⁻¹
Z = 136	T = 293 K
F(000) = 4301	Platelet

Data collection top

StoeStadiVari diffractometer	θ_max = 33.3°, θ_min = 3.0°
30717 measured reflections	h = −29→30
721 independent reflections	k = −29→29
591 reflections with I > 2σ(I)	l = −14→29
R_int = 0.096

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + (0.0439P)² + 85.838P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.055	(Δ/σ)_max < 0.001
wR(F²) = 0.137	Δρ_max = 0.88 e Å⁻³
S = 1.15	Δρ_min = −0.76 e Å⁻³
721 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
46 parameters	Extinction coefficient: 0.00039 (10)

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1	0.06748 (4)	0.06748 (4)	0.36973 (5)	0.0244 (3)
Si2	0.21629 (5)	0.21629 (5)	0.21629 (5)	0.0180 (4)
Si3	0.1250	0.1250	0.1250	0.0180 (6)
O1	0.0000	0.34326 (17)	−0.34326 (17)	0.0627 (12)
O2	0.1999 (2)	0.1999 (2)	0.2928 (2)	0.0829 (17)
O3	0.3734 (3)	0.1250	0.1250	0.0513 (13)
O4	0.1707 (2)	0.1707 (2)	0.1707 (2)	0.120 (4)
Na	0.5000	0.5000	0.5000	0.050*	0.031 (14)
C1	0.0000	0.0000	0.0000	0.083 (6)
C2A	0.332 (4)	0.332 (4)	0.332 (4)	0.050*	0.10 (5)
C2B	0.392 (3)	0.392 (3)	0.392 (3)	0.050*	0.11 (2)
C2C	0.3614 (13)	0.3614 (13)	0.3015 (19)	0.050*	0.154 (14)
C2D	0.3426 (17)	0.3426 (17)	0.434 (2)	0.050*	0.114 (13)
C2E	0.324 (2)	0.324 (2)	0.361 (4)	0.050*	0.117 (19)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1	0.0261 (4)	0.0261 (4)	0.0210 (5)	0.0036 (3)	−0.0049 (3)	−0.0049 (3)
Si2	0.0180 (4)	0.0180 (4)	0.0180 (4)	−0.0012 (3)	−0.0012 (3)	−0.0012 (3)
Si3	0.0180 (6)	0.0180 (6)	0.0180 (6)	0.000	0.000	0.000
O1	0.0345 (18)	0.0769 (19)	0.0769 (19)	−0.0122 (12)	−0.0122 (12)	−0.017 (2)
O2	0.108 (3)	0.108 (3)	0.032 (2)	0.004 (3)	0.0268 (17)	0.0268 (17)
O3	0.063 (4)	0.0455 (19)	0.0455 (19)	0.000	0.000	−0.014 (2)
O4	0.120 (4)	0.120 (4)	0.120 (4)	−0.054 (3)	−0.054 (3)	−0.054 (3)
C1	0.083 (6)	0.083 (6)	0.083 (6)	−0.010 (6)	−0.010 (6)	−0.010 (6)

Geometric parameters (Å, º) top

Si1—O1ⁱ	1.5781 (8)	C2A—C2E	0.61 (7)
Si1—O1ⁱⁱ	1.5781 (8)	C2A—C2E^viii	0.61 (7)
Si1—O2ⁱⁱⁱ	1.569 (4)	C2A—C2E^vii	0.61 (7)
Si1—O3^iv	1.5831 (11)	C2B—C2B^xxxii	0.92 (14)
Si1—Na^v	3.1396 (11)	C2B—C2B^vi	0.92 (14)
Si1—Na^vi	5.6213 (11)	C2B—C2B^xxxiii	0.92 (14)
Si2—O2	1.555 (4)	C2B—C2C^xxxii	1.25 (4)
Si2—O2^vii	1.555 (4)	C2B—C2C^xxxvi	1.25 (4)
Si2—O2^viii	1.555 (4)	C2B—C2C^xxxvii	1.25 (4)
Si2—O4	1.536 (7)	C2B—C2D^vi	0.93 (8)
Si2—Na^vi	5.5933 (12)	C2B—C2D^xxxi	0.93 (8)
Si2—Na^ix	5.5933 (12)	C2B—C2D^xxviii	0.93 (8)
Si2—Na^x	5.5933 (12)	C2B—C2E^xxviii	1.12 (7)
Si3—O4^xi	1.538 (7)	C2B—C2E^vi	1.12 (7)
Si3—O4	1.538 (7)	C2B—C2E^xxxi	1.12 (7)
Si3—O4^xii	1.538 (7)	C2C—C2B^xxxiii	1.25 (4)
Si3—O4ⁱⁱⁱ	1.538 (7)	C2C—C2B^xxxii	1.25 (4)
O1—Si1^xiii	1.5781 (8)	C2C—C2C^vi	0.75 (7)
O1—Si1^xiv	1.5781 (8)	C2C—C2D^xxxiii	1.00 (4)
O1—Na^xv	2.564 (5)	C2C—C2D^xxxvii	1.49 (3)
O2—Si1ⁱⁱⁱ	1.569 (4)	C2C—C2D^xxxii	1.00 (4)
O2—Na^vi	4.257 (5)	C2C—C2D^xxxiv	1.49 (3)
O3—Si1^vii	1.5830 (11)	C2C—C2E^viii	0.85 (3)
O3—Si1^xvi	1.5830 (11)	C2C—C2E^xxxiv	1.44 (4)
O3—Na^ix	4.228 (4)	C2C—C2E^vii	0.85 (3)
O3—Na^xvii	4.228 (4)	C2C—C2E^xxxvii	1.44 (4)
Na—Si1^xviii	3.1397 (11)	C2D—C2A^xxxiii	1.51 (7)
Na—Si1^xix	3.1397 (11)	C2D—C2A^xxxii	1.51 (7)
Na—Si1^xx	3.1397 (11)	C2D—C2B^vi	0.93 (8)
Na—O1^xxi	2.564 (5)	C2D—C2C^xxxii	1.00 (4)
Na—O1^xxii	2.564 (5)	C2D—C2C^xxxi	1.49 (3)
Na—O1^xxiii	2.564 (5)	C2D—C2C^xxviii	1.49 (3)
Na—O1^xxiv	2.564 (5)	C2D—C2C^xxxiii	1.00 (4)
Na—O1^xxv	2.564 (5)	C2D—C2D^xxxvi	0.74 (8)
Na—O1^xxvi	2.564 (5)	C2D—C2D^xxxv	0.74 (8)
Na—C2D^xxvii	2.85 (5)	C2D—C2E^xxxvi	0.98 (6)
Na—C2D^xxviii	2.85 (5)	C2D—C2E	1.51 (8)
Na—C2D^xxix	2.85 (5)	C2D—C2E^xxxv	0.98 (6)
Na—C2D^xxx	2.85 (5)	C2E—C2B^xxxii	1.48 (6)
Na—C2D^vi	2.85 (5)	C2E—C2B^vi	1.12 (7)
Na—C2D^xxxi	2.85 (5)	C2E—C2B^xxxiii	1.48 (6)
C2A—C2B^xxxii	1.37 (11)	C2E—C2C^viii	0.85 (3)
C2A—C2B^xxxiii	1.37 (11)	C2E—C2C^xxviii	1.44 (4)
C2A—C2B^vi	1.37 (11)	C2E—C2C^xxxi	1.44 (4)
C2A—C2C^viii	1.00 (6)	C2E—C2C^vii	0.85 (3)
C2A—C2C^vii	1.00 (5)	C2E—C2D^xxxvi	0.98 (6)
C2A—C2C	1.00 (6)	C2E—C2D^xxxv	0.98 (6)
C2A—C2D^xxxiv	1.51 (7)	C2E—C2E^vii	1.02 (13)
C2A—C2D^xxxv	1.51 (7)	C2E—C2E^viii	1.02 (12)
C2A—C2D^xxxvi	1.51 (7)

O1ⁱ—Si1—O1ⁱⁱ	108.7 (3)	C2B^xxxiii—C2B—C2E^xxxi	148 (5)
O1ⁱ—Si1—O3^iv	110.03 (14)	C2B^vi—C2B—C2E^xxviii	92 (5)
O1ⁱⁱ—Si1—O3^iv	110.03 (14)	C2C^xxxii—C2B—C2C^xxxvii	146 (6)
O1ⁱ—Si1—Na^v	54.37 (17)	C2C^xxxvi—C2B—C2C^xxxvii	116 (3)
O1ⁱ—Si1—Na^vi	96.83 (4)	C2C^xxxii—C2B—C2C^xxxvi	82 (3)
O1ⁱⁱ—Si1—Na^vi	96.83 (4)	C2D^xxviii—C2B—C2B^xxxiii	149.1 (8)
O1ⁱⁱ—Si1—Na^v	54.37 (17)	C2D^vi—C2B—C2B^xxxii	149.1 (8)
O2ⁱⁱⁱ—Si1—O1ⁱ	108.91 (14)	C2D^vi—C2B—C2B^vi	117 (4)
O2ⁱⁱⁱ—Si1—O1ⁱⁱ	108.91 (14)	C2D^xxviii—C2B—C2B^vi	149.1 (8)
O2ⁱⁱⁱ—Si1—O3^iv	110.3 (3)	C2D^xxviii—C2B—C2B^xxxii	117 (4)
O2ⁱⁱⁱ—Si1—Na^vi	134.5 (2)	C2D^vi—C2B—C2B^xxxiii	149.1 (8)
O2ⁱⁱⁱ—Si1—Na^v	126.1 (2)	C2D^xxxi—C2B—C2B^vi	149.1 (8)
O3^iv—Si1—Na^v	123.7 (2)	C2D^xxxi—C2B—C2B^xxxiii	117 (4)
O3^iv—Si1—Na^vi	24.2 (2)	C2D^xxxi—C2B—C2B^xxxii	149.1 (8)
Na^v—Si1—Na^vi	99.45 (2)	C2D^xxxi—C2B—C2C^xxxii	85 (4)
O2—Si2—O2^vii	110.5 (2)	C2D^xxviii—C2B—C2C^xxxii	99 (6)
O2—Si2—O2^viii	110.5 (2)	C2D^xxxi—C2B—C2C^xxxvi	52 (3)
O2^viii—Si2—O2^vii	110.5 (2)	C2D^xxviii—C2B—C2C^xxxvi	99 (6)
O2^vii—Si2—Na^x	96.57 (18)	C2D^xxviii—C2B—C2C^xxxvii	52 (3)
O2^viii—Si2—Na^x	26.4 (2)	C2D^vi—C2B—C2C^xxxvii	99 (6)
O2—Si2—Na^ix	96.58 (18)	C2D^vi—C2B—C2C^xxxvi	85 (4)
O2—Si2—Na^vi	26.4 (2)	C2D^xxxi—C2B—C2C^xxxvii	85 (4)
O2^vii—Si2—Na^ix	26.4 (2)	C2D^vi—C2B—C2C^xxxii	52 (3)
O2—Si2—Na^x	96.58 (18)	C2D^xxxi—C2B—C2D^vi	47 (6)
O2^viii—Si2—Na^vi	96.57 (18)	C2D^xxxi—C2B—C2D^xxviii	47 (6)
O2^vii—Si2—Na^vi	96.57 (18)	C2D^vi—C2B—C2D^xxviii	47 (6)
O2^viii—Si2—Na^ix	96.57 (18)	C2D^xxxi—C2B—C2E^vi	57 (4)
O4—Si2—O2^viii	108.4 (2)	C2D^xxviii—C2B—C2E^xxviii	95 (8)
O4—Si2—O2^vii	108.4 (2)	C2D^vi—C2B—C2E^xxxi	57 (4)
O4—Si2—O2	108.4 (2)	C2D^xxxi—C2B—C2E^xxxi	95 (8)
O4—Si2—Na^ix	134.803 (11)	C2D^xxviii—C2B—C2E^xxxi	57 (4)
O4—Si2—Na^x	134.803 (11)	C2D^vi—C2B—C2E^vi	95 (8)
O4—Si2—Na^vi	134.803 (11)	C2D^xxviii—C2B—C2E^vi	57 (4)
Na^vi—Si2—Na^ix	75.827 (17)	C2D^xxxi—C2B—C2E^xxviii	57 (4)
Na^x—Si2—Na^vi	75.827 (17)	C2D^vi—C2B—C2E^xxviii	57 (4)
Na^x—Si2—Na^ix	75.827 (17)	C2E^vi—C2B—C2C^xxxii	142 (8)
O4^xi—Si3—O4ⁱⁱⁱ	109.471 (1)	C2E^vi—C2B—C2C^xxxvii	41.5 (17)
O4^xi—Si3—O4^xii	109.5	C2E^xxxi—C2B—C2C^xxxvi	142 (8)
O4^xi—Si3—O4	109.471 (1)	C2E^xxxi—C2B—C2C^xxxvii	74 (2)
O4ⁱⁱⁱ—Si3—O4	109.5	C2E^xxxi—C2B—C2C^xxxii	74 (2)
O4ⁱⁱⁱ—Si3—O4^xii	109.5	C2E^xxviii—C2B—C2C^xxxvi	41.5 (17)
O4^xii—Si3—O4	109.471 (1)	C2E^vi—C2B—C2C^xxxvi	74 (2)
Si1^xiii—O1—Si1^xiv	168.8 (3)	C2E^xxviii—C2B—C2C^xxxii	41.5 (17)
Si1^xiv—O1—Na^xv	95.62 (17)	C2E^xxviii—C2B—C2C^xxxvii	142 (8)
Si1^xiii—O1—Na^xv	95.62 (17)	C2E^xxxi—C2B—C2E^vi	107 (6)
Si1ⁱⁱⁱ—O2—Na^vi	36.58 (16)	C2E^xxviii—C2B—C2E^xxxi	107 (6)
Si2—O2—Si1ⁱⁱⁱ	179.2 (5)	C2E^xxviii—C2B—C2E^vi	107 (6)
Si2—O2—Na^vi	144.2 (3)	C2A—C2C—C2B^xxxii	74 (6)
Si1^vii—O3—Si1^xvi	174.9 (4)	C2A—C2C—C2B^xxxiii	74 (6)
Si1^vii—O3—Na^ix	147.0 (3)	C2A—C2C—C2D^xxxiv	72 (4)
Si1^xvi—O3—Na^ix	38.19 (16)	C2A—C2C—C2D^xxxvii	72 (4)
Si1^xvi—O3—Na^xvii	147.0 (3)	C2A—C2C—C2E^xxxvii	122 (6)
Si1^vii—O3—Na^xvii	38.19 (16)	C2A—C2C—C2E^xxxiv	122 (6)
Na^ix—O3—Na^xvii	108.78 (13)	C2B^xxxiii—C2C—C2B^xxxii	43 (8)
Si2—O4—Si3	180.0 (8)	C2B^xxxii—C2C—C2D^xxxiv	38 (3)
Si1^xx—Na—Si1^xix	180.00 (3)	C2B^xxxiii—C2C—C2D^xxxvii	38 (4)
Si1^xviii—Na—Si1^xx	119.972 (1)	C2B^xxxiii—C2C—C2D^xxxiv	81 (5)
Si1^xviii—Na—Si1^xix	60.028 (1)	C2B^xxxii—C2C—C2D^xxxvii	81 (5)
O1^xxi—Na—Si1^xviii	30.014 (1)	C2B^xxxii—C2C—C2E^xxxvii	66 (4)
O1^xxii—Na—Si1^xx	149.986 (1)	C2B^xxxii—C2C—C2E^xxxiv	48 (3)
O1^xxiv—Na—Si1^xx	90.0	C2B^xxxiii—C2C—C2E^xxxvii	48 (3)
O1^xxii—Na—Si1^xviii	90.0	C2B^xxxiii—C2C—C2E^xxxiv	66 (4)
O1^xxv—Na—Si1^xx	30.014 (1)	C2C^vi—C2C—C2A	144 (7)
O1^xxv—Na—Si1^xix	149.986 (1)	C2C^vi—C2C—C2B^xxxii	72.6 (16)
O1^xxv—Na—Si1^xviii	90.0	C2C^vi—C2C—C2B^xxxiii	72.6 (16)
O1^xxiii—Na—Si1^xviii	149.986 (1)	C2C^vi—C2C—C2D^xxxiv	89.8 (19)
O1^xxii—Na—Si1^xix	30.014 (1)	C2C^vi—C2C—C2D^xxxii	68 (2)
O1^xxvi—Na—Si1^xx	30.014 (1)	C2C^vi—C2C—C2D^xxxvii	89.8 (19)
O1^xxiv—Na—Si1^xix	90.0	C2C^vi—C2C—C2D^xxxiii	68 (2)
O1^xxiii—Na—Si1^xix	90.0	C2C^vi—C2C—C2E^vii	128 (5)
O1^xxiii—Na—Si1^xx	90.0	C2C^vi—C2C—C2E^xxxiv	28 (2)
O1^xxi—Na—Si1^xx	149.986 (1)	C2C^vi—C2C—C2E^viii	128 (5)
O1^xxiv—Na—Si1^xviii	30.014 (1)	C2C^vi—C2C—C2E^xxxvii	28 (2)
O1^xxvi—Na—Si1^xix	149.986 (1)	C2D^xxxii—C2C—C2A	98 (4)
O1^xxvi—Na—Si1^xviii	149.986 (1)	C2D^xxxiii—C2C—C2A	98 (4)
O1^xxi—Na—Si1^xix	30.014 (1)	C2D^xxxiii—C2C—C2B^xxxii	47 (4)
O1^xxvi—Na—O1^xxi	180.0	C2D^xxxii—C2C—C2B^xxxiii	47 (4)
O1^xxvi—Na—O1^xxiii	60.0	C2D^xxxii—C2C—C2B^xxxii	88 (6)
O1^xxiv—Na—O1^xxiii	180.0	C2D^xxxiii—C2C—C2B^xxxiii	88 (6)
O1^xxii—Na—O1^xxiv	120.0	C2D^xxxii—C2C—C2D^xxxvii	26 (3)
O1^xxii—Na—O1^xxiii	60.0	C2D^xxxii—C2C—C2D^xxxiv	127 (5)
O1^xxv—Na—O1^xxiii	120.0	C2D^xxxiv—C2C—C2D^xxxvii	115 (4)
O1^xxvi—Na—O1^xxv	60.0	C2D^xxxiii—C2C—C2D^xxxiv	26 (3)
O1^xxvi—Na—O1^xxii	120.0	C2D^xxxiii—C2C—C2D^xxxvii	127 (5)
O1^xxi—Na—O1^xxv	120.0	C2D^xxxiii—C2C—C2D^xxxii	125 (5)
O1^xxi—Na—O1^xxiii	120.0	C2D^xxxii—C2C—C2E^xxxvii	43 (3)
O1^xxii—Na—O1^xxv	180.0	C2D^xxxiii—C2C—C2E^xxxiv	43 (3)
O1^xxi—Na—O1^xxii	60.0	C2D^xxxiii—C2C—C2E^xxxvii	84 (4)
O1^xxvi—Na—O1^xxiv	120.0	C2D^xxxii—C2C—C2E^xxxiv	84 (4)
O1^xxi—Na—O1^xxiv	60.0	C2E^viii—C2C—C2A	37 (5)
O1^xxv—Na—O1^xxiv	60.0	C2E^vii—C2C—C2A	37 (5)
O1^xxi—Na—C2D^xxvii	90.000 (2)	C2E^vii—C2C—C2B^xxxiii	87 (6)
O1^xxi—Na—C2D^xxviii	97.5 (8)	C2E^vii—C2C—C2B^xxxii	61 (5)
O1^xxi—Na—C2D^xxxi	82.5 (8)	C2E^viii—C2C—C2B^xxxii	87 (6)
O1^xxii—Na—C2D^xxvii	82.5 (8)	C2E^viii—C2C—C2B^xxxiii	61 (5)
O1^xxii—Na—C2D^xxix	90.000 (4)	C2E^xxxiv—C2C—C2D^xxxvii	98 (4)
O1^xxv—Na—C2D^xxvii	97.5 (8)	C2E^vii—C2C—C2D^xxxvii	103 (6)
O1^xxiv—Na—C2D^xxxi	90.000 (5)	C2E^viii—C2C—C2D^xxxvii	39 (5)
O1^xxiv—Na—C2D^xxvii	97.5 (8)	C2E^viii—C2C—C2D^xxxiii	128 (7)
O1^xxiii—Na—C2D^vi	97.5 (8)	C2E^xxxvii—C2C—C2D^xxxiv	98 (4)
O1^xxiii—Na—C2D^xxvii	82.5 (8)	C2E^vii—C2C—C2D^xxxii	128 (7)
O1^xxiii—Na—C2D^xxx	90.000 (5)	C2E^vii—C2C—C2D^xxxiv	39 (5)
O1^xxvi—Na—C2D^vi	90.000 (3)	C2E^viii—C2C—C2D^xxxii	64 (5)
O1^xxvi—Na—C2D^xxvii	90.000 (5)	C2E^xxxiv—C2C—C2D^xxxiv	62 (3)
O1^xxi—Na—C2D^vi	90.000 (5)	C2E^xxxvii—C2C—C2D^xxxvii	62 (3)
O1^xxii—Na—C2D^vi	97.5 (8)	C2E^viii—C2C—C2D^xxxiv	103 (6)
O1^xxii—Na—C2D^xxviii	90.000 (2)	C2E^vii—C2C—C2D^xxxiii	64 (5)
O1^xxvi—Na—C2D^xxx	82.5 (8)	C2E^vii—C2C—C2E^xxxiv	100 (7)
O1^xxiii—Na—C2D^xxviii	82.5 (8)	C2E^xxxvii—C2C—C2E^xxxiv	42 (6)
O1^xxvi—Na—C2D^xxviii	82.5 (8)	C2E^viii—C2C—C2E^vii	74 (10)
O1^xxi—Na—C2D^xxix	82.5 (8)	C2E^vii—C2C—C2E^xxxvii	127 (7)
O1^xxiii—Na—C2D^xxix	97.5 (8)	C2E^viii—C2C—C2E^xxxvii	100 (7)
O1^xxv—Na—C2D^xxix	90.000 (2)	C2E^viii—C2C—C2E^xxxiv	127 (7)
O1^xxi—Na—C2D^xxx	97.5 (8)	C2A^xxxii—C2D—C2A^xxxiii	103 (7)
O1^xxvi—Na—C2D^xxxi	97.5 (8)	C2B^vi—C2D—C2A^xxxiii	63 (4)
O1^xxvi—Na—C2D^xxix	97.5 (8)	C2B^vi—C2D—C2A^xxxii	63 (4)
O1^xxv—Na—C2D^xxviii	90.000 (4)	C2B^vi—C2D—C2C^xxviii	57 (2)
O1^xxii—Na—C2D^xxx	97.5 (8)	C2B^vi—C2D—C2C^xxxi	57 (2)
O1^xxv—Na—C2D^xxxi	97.5 (8)	C2B^vi—C2D—C2C^xxxii	81 (4)
O1^xxii—Na—C2D^xxxi	82.5 (8)	C2B^vi—C2D—C2C^xxxiii	81 (4)
O1^xxiii—Na—C2D^xxxi	90.000 (1)	C2B^vi—C2D—C2E^xxxvi	71 (4)
O1^xxv—Na—C2D^xxx	82.5 (8)	C2B^vi—C2D—C2E^xxxv	71 (4)
O1^xxiv—Na—C2D^vi	82.5 (8)	C2B^vi—C2D—C2E	47 (4)
O1^xxiv—Na—C2D^xxviii	97.5 (8)	C2C^xxxi—C2D—C2A^xxxii	118 (5)
O1^xxiv—Na—C2D^xxix	82.5 (8)	C2C^xxxiii—C2D—C2A^xxxiii	41 (2)
O1^xxiv—Na—C2D^xxx	90.000 (1)	C2C^xxxii—C2D—C2A^xxxii	41 (2)
O1^xxv—Na—C2D^vi	82.5 (8)	C2C^xxxiii—C2D—C2A^xxxii	80 (3)
C2D^xxxi—Na—Si1^xviii	86.7 (4)	C2C^xxviii—C2D—C2A^xxxii	39.0 (17)
C2D^vi—Na—Si1^xix	93.3 (4)	C2C^xxviii—C2D—C2A^xxxiii	118 (5)
C2D^xxviii—Na—Si1^xix	93.3 (4)	C2C^xxxi—C2D—C2A^xxxiii	39.0 (17)
C2D^xxvii—Na—Si1^xviii	93.3 (4)	C2C^xxxii—C2D—C2A^xxxiii	80 (3)
C2D^xxxi—Na—Si1^xix	80.4 (9)	C2C^xxxiii—C2D—C2C^xxviii	115 (4)
C2D^xxx—Na—Si1^xix	99.6 (9)	C2C^xxxii—C2D—C2C^xxxi	115 (4)
C2D^xxix—Na—Si1^xviii	80.4 (9)	C2C^xxxii—C2D—C2C^xxviii	80 (4)
C2D^xxviii—Na—Si1^xx	86.7 (4)	C2C^xxxiii—C2D—C2C^xxxii	44 (4)
C2D^xxx—Na—Si1^xx	80.4 (9)	C2C^xxxiii—C2D—C2C^xxxi	80 (4)
C2D^xxvii—Na—Si1^xix	86.7 (4)	C2C^xxviii—C2D—C2C^xxxi	107 (4)
C2D^xxvii—Na—Si1^xx	93.3 (4)	C2C^xxxii—C2D—C2E	124 (5)
C2D^xxix—Na—Si1^xx	93.3 (4)	C2C^xxxiii—C2D—C2E^xxxvi	92 (5)
C2D^vi—Na—Si1^xx	86.7 (4)	C2C^xxxii—C2D—C2E^xxxv	92 (5)
C2D^xxix—Na—Si1^xix	86.7 (4)	C2C^xxviii—C2D—C2E	57 (2)
C2D^xxviii—Na—Si1^xviii	99.6 (9)	C2C^xxxiii—C2D—C2E	124 (5)
C2D^xxxi—Na—Si1^xx	99.6 (9)	C2C^xxxii—C2D—C2E^xxxvi	50 (3)
C2D^vi—Na—Si1^xviii	86.7 (4)	C2C^xxxiii—C2D—C2E^xxxv	50 (3)
C2D^xxx—Na—Si1^xviii	93.3 (4)	C2C^xxxi—C2D—C2E	57 (2)
C2D^xxviii—Na—C2D^vi	14.9 (15)	C2D^xxxv—C2D—C2A^xxxiii	122 (3)
C2D^xxviii—Na—C2D^xxix	180.0 (11)	C2D^xxxvi—C2D—C2A^xxxii	122 (3)
C2D^xxxi—Na—C2D^xxvii	165.1 (15)	C2D^xxxv—C2D—C2A^xxxii	75.9 (17)
C2D^xxix—Na—C2D^xxxi	165.1 (15)	C2D^xxxvi—C2D—C2A^xxxiii	75.9 (17)
C2D^xxvii—Na—C2D^vi	180.0	C2D^xxxv—C2D—C2B^vi	67 (3)
C2D^xxviii—Na—C2D^xxvii	165.1 (15)	C2D^xxxvi—C2D—C2B^vi	67 (3)
C2D^xxxi—Na—C2D^xxx	180.0	C2D^xxxvi—C2D—C2C^xxviii	90.2 (19)
C2D^xxix—Na—C2D^xxx	14.9 (15)	C2D^xxxv—C2D—C2C^xxxii	117 (3)
C2D^xxx—Na—C2D^vi	165.1 (15)	C2D^xxxv—C2D—C2C^xxviii	37 (2)
C2D^xxx—Na—C2D^xxvii	14.9 (15)	C2D^xxxvi—C2D—C2C^xxxi	37 (2)
C2D^xxix—Na—C2D^xxvii	14.9 (15)	C2D^xxxvi—C2D—C2C^xxxii	145 (3)
C2D^xxviii—Na—C2D^xxxi	14.9 (15)	C2D^xxxv—C2D—C2C^xxxiii	145 (3)
C2D^xxix—Na—C2D^vi	165.1 (15)	C2D^xxxvi—C2D—C2C^xxxiii	117 (3)
C2D^xxviii—Na—C2D^xxx	165.1 (15)	C2D^xxxv—C2D—C2C^xxxi	90.2 (19)
C2D^xxxi—Na—C2D^vi	14.9 (15)	C2D^xxxvi—C2D—C2D^xxxv	60.00 (3)
C2B^xxxii—C2A—C2B^xxxiii	39 (7)	C2D^xxxvi—C2D—C2E^xxxv	68 (3)
C2B^xxxii—C2A—C2B^vi	39 (7)	C2D^xxxv—C2D—C2E^xxxvi	68 (3)
C2B^xxxiii—C2A—C2B^vi	39 (7)	C2D^xxxv—C2D—C2E	33.4 (13)
C2B^vi—C2A—C2D^xxxv	37 (4)	C2D^xxxvi—C2D—C2E^xxxvi	122 (3)
C2B^xxxii—C2A—C2D^xxxvi	66 (5)	C2D^xxxv—C2D—C2E^xxxv	122 (3)
C2B^xxxiii—C2A—C2D^xxxiv	76 (7)	C2D^xxxvi—C2D—C2E	33.4 (13)
C2B^xxxiii—C2A—C2D^xxxvi	76 (7)	C2E^xxxv—C2D—C2A^xxxii	117 (5)
C2B^xxxiii—C2A—C2D^xxxv	66 (5)	C2E^xxxv—C2D—C2A^xxxiii	14 (6)
C2B^xxxii—C2A—C2D^xxxv	76 (7)	C2E^xxxvi—C2D—C2A^xxxii	14 (6)
C2B^vi—C2A—C2D^xxxiv	66 (5)	C2E—C2D—C2A^xxxiii	90 (3)
C2B^xxxii—C2A—C2D^xxxiv	37 (4)	C2E^xxxvi—C2D—C2A^xxxiii	117 (5)
C2B^vi—C2A—C2D^xxxvi	37 (4)	C2E—C2D—C2A^xxxii	90 (3)
C2C—C2A—C2B^xxxii	61 (6)	C2E^xxxvi—C2D—C2C^xxxi	128 (5)
C2C^vii—C2A—C2B^xxxii	94 (10)	C2E^xxxv—C2D—C2C^xxviii	128 (5)
C2C—C2A—C2B^xxxiii	61 (6)	C2E^xxxv—C2D—C2C^xxxi	33 (2)
C2C^viii—C2A—C2B^xxxiii	94 (10)	C2E^xxxvi—C2D—C2C^xxviii	33 (2)
C2C^vii—C2A—C2B^vi	61 (6)	C2E^xxxv—C2D—C2E	89 (4)
C2C—C2A—C2B^vi	94 (10)	C2E^xxxvi—C2D—C2E	89 (4)
C2C^viii—C2A—C2B^vi	61 (6)	C2E^xxxvi—C2D—C2E^xxxv	130 (9)
C2C^vii—C2A—C2B^xxxiii	61 (6)	C2A—C2E—C2B^xxxii	68 (10)
C2C^viii—C2A—C2B^xxxii	61 (6)	C2A—C2E—C2B^xxxiii	68 (10)
C2C—C2A—C2C^viii	110 (7)	C2A—C2E—C2B^vi	101 (10)
C2C^viii—C2A—C2C^vii	110 (7)	C2A—C2E—C2C^vii	85 (7)
C2C—C2A—C2C^vii	110 (7)	C2A—C2E—C2C^xxviii	102 (9)
C2C^vii—C2A—C2D^xxxvi	69 (4)	C2A—C2E—C2C^viii	85 (7)
C2C—C2A—C2D^xxxvi	128 (10)	C2A—C2E—C2C^xxxi	102 (9)
C2C—C2A—C2D^xxxv	128 (10)	C2A—C2E—C2D^xxxvi	143 (10)
C2C^vii—C2A—C2D^xxxiv	128 (10)	C2A—C2E—C2D^xxxv	143 (10)
C2C^vii—C2A—C2D^xxxv	41 (3)	C2A—C2E—C2E^viii	33 (6)
C2C^viii—C2A—C2D^xxxv	69 (4)	C2A—C2E—C2E^vii	33 (6)
C2C^viii—C2A—C2D^xxxiv	41 (3)	C2B^vi—C2E—C2B^xxxii	39 (7)
C2C—C2A—C2D^xxxiv	69 (4)	C2B^vi—C2E—C2B^xxxiii	39 (7)
C2C^viii—C2A—C2D^xxxvi	41 (3)	C2B^xxxii—C2E—C2B^xxxiii	36 (5)
C2D^xxxv—C2A—C2D^xxxiv	96 (6)	C2B^vi—C2E—C2C^xxxi	57 (3)
C2D^xxxvi—C2A—C2D^xxxv	28 (3)	C2B^vi—C2E—C2C^xxviii	57 (3)
C2D^xxxvi—C2A—C2D^xxxiv	72 (5)	C2C^vii—C2E—C2B^vi	78 (5)
C2E^vii—C2A—C2B^xxxii	53 (10)	C2C^xxviii—C2E—C2B^xxxii	84 (5)
C2E^viii—C2A—C2B^xxxiii	53 (10)	C2C^viii—C2E—C2B^xxxiii	94 (6)
C2E—C2A—C2B^vi	53 (10)	C2C^vii—C2E—C2B^xxxiii	58 (5)
C2E^viii—C2A—C2B^vi	88 (10)	C2C^viii—C2E—C2B^vi	78 (5)
C2E^viii—C2A—C2B^xxxii	88 (10)	C2C^xxxi—C2E—C2B^xxxii	51 (3)
C2E^vii—C2A—C2B^xxxiii	88 (10)	C2C^xxxi—C2E—C2B^xxxiii	84 (5)
C2E—C2A—C2B^xxxiii	88 (10)	C2C^viii—C2E—C2B^xxxii	58 (5)
C2E^vii—C2A—C2B^vi	88 (10)	C2C^xxviii—C2E—C2B^xxxiii	51 (3)
C2E—C2A—C2B^xxxii	88 (10)	C2C^vii—C2E—C2B^xxxii	94 (6)
C2E^viii—C2A—C2C	58 (4)	C2C^viii—C2E—C2C^vii	152 (10)
C2E^viii—C2A—C2C^viii	147 (10)	C2C^vii—C2E—C2C^xxviii	24 (3)
C2E^vii—C2A—C2C^viii	58 (4)	C2C^viii—C2E—C2C^xxxi	24 (3)
C2E—C2A—C2C^viii	58 (4)	C2C^viii—C2E—C2C^xxviii	135 (7)
C2E^vii—C2A—C2C^vii	147 (10)	C2C^xxviii—C2E—C2C^xxxi	113 (5)
C2E^viii—C2A—C2C^vii	58 (4)	C2C^vii—C2E—C2C^xxxi	135 (7)
C2E—C2A—C2C	147 (10)	C2C^vii—C2E—C2D^xxxvi	109 (7)
C2E^vii—C2A—C2C	58 (4)	C2C^viii—C2E—C2D^xxxv	109 (7)
C2E—C2A—C2C^vii	58 (4)	C2C^viii—C2E—C2D^xxxvi	66 (4)
C2E^viii—C2A—C2D^xxxiv	119 (10)	C2C^vii—C2E—C2D^xxxv	66 (4)
C2E—C2A—C2D^xxxv	23 (9)	C2C^viii—C2E—C2E^vii	53 (5)
C2E^viii—C2A—C2D^xxxv	94 (9)	C2C^vii—C2E—C2E^viii	53 (5)
C2E^vii—C2A—C2D^xxxv	119 (10)	C2C^vii—C2E—C2E^vii	112 (5)
C2E^viii—C2A—C2D^xxxvi	119 (10)	C2C^viii—C2E—C2E^viii	112 (5)
C2E^vii—C2A—C2D^xxxvi	94 (9)	C2D^xxxvi—C2E—C2B^xxxiii	91 (6)
C2E—C2A—C2D^xxxvi	23 (9)	C2D^xxxvi—C2E—C2B^vi	52 (5)
C2E^vii—C2A—C2D^xxxiv	23 (9)	C2D^xxxv—C2E—C2B^xxxiii	77 (5)
C2E—C2A—C2D^xxxiv	94 (9)	C2D^xxxvi—C2E—C2B^xxxii	77 (5)
C2E^viii—C2A—C2E	114 (10)	C2D^xxxv—C2E—C2B^vi	52 (5)
C2E^viii—C2A—C2E^vii	114 (10)	C2D^xxxv—C2E—C2B^xxxii	91 (6)
C2E^vii—C2A—C2E	114 (10)	C2D^xxxvi—C2E—C2C^xxviii	85 (4)
C2B^xxxiii—C2B—C2B^xxxii	60.00 (3)	C2D^xxxv—C2E—C2C^xxviii	44 (3)
C2B^vi—C2B—C2B^xxxii	60.00 (2)	C2D^xxxvi—C2E—C2C^xxxi	44 (3)
C2B^xxxiii—C2B—C2B^vi	60.00 (2)	C2D^xxxv—C2E—C2C^xxxi	85 (4)
C2B^xxxiii—C2B—C2C^xxxvi	68 (4)	C2D^xxxvi—C2E—C2D^xxxv	44 (6)
C2B^xxxii—C2B—C2C^xxxvi	126 (4)	C2E^viii—C2E—C2B^vi	88 (5)
C2B^vi—C2B—C2C^xxxii	68 (4)	C2E^vii—C2E—C2B^xxxiii	70 (2)
C2B^vi—C2B—C2C^xxxvi	107 (3)	C2E^viii—C2E—C2B^xxxiii	49 (4)
C2B^vi—C2B—C2C^xxxvii	126 (4)	C2E^vii—C2E—C2B^vi	88 (5)
C2B^xxxiii—C2B—C2C^xxxvii	107 (3)	C2E^viii—C2E—C2B^xxxii	70 (2)
C2B^xxxiii—C2B—C2C^xxxii	107 (3)	C2E^vii—C2E—C2B^xxxii	49 (4)
C2B^xxxii—C2B—C2C^xxxvii	68 (4)	C2E^viii—C2E—C2C^xxxi	119 (3)
C2B^xxxii—C2B—C2C^xxxii	126 (4)	C2E^viii—C2E—C2C^xxviii	69 (3)
C2B^xxxii—C2B—C2E^xxviii	148 (5)	C2E^vii—C2E—C2C^xxviii	119 (3)
C2B^vi—C2B—C2E^vi	148 (5)	C2E^vii—C2E—C2C^xxxi	69 (3)
C2B^xxxii—C2B—C2E^xxxi	92 (5)	C2E^vii—C2E—C2D^xxxv	140 (4)
C2B^xxxiii—C2B—C2E^vi	92 (5)	C2E^vii—C2E—C2D^xxxvi	113 (4)
C2B^vi—C2B—C2E^xxxi	92 (5)	C2E^viii—C2E—C2D^xxxvi	140 (4)
C2B^xxxii—C2B—C2E^vi	92 (5)	C2E^viii—C2E—C2D^xxxv	113 (4)
C2B^xxxiii—C2B—C2E^xxviii	92 (5)	C2E^viii—C2E—C2E^vii	59.999 (12)

Symmetry codes: (i) y−1/4, −x, z+3/4; (ii) −x, y−1/4, z+3/4; (iii) −x+1/4, −y+1/4, z; (iv) −z+1/4, −y+1/4, x; (v) x−1/2, y−1/2, z; (vi) −x+3/4, −y+3/4, z; (vii) z, x, y; (viii) y, z, x; (ix) −y+1, x−1/4, z−1/4; (x) y−1/4, −x+1, z−1/4; (xi) −y+1/4, x, −z+1/4; (xii) y, −x+1/4, −z+1/4; (xiii) y, −z+3/4, −x−1/4; (xiv) −y, x+1/4, z−3/4; (xv) −y+1/2, x−1/4, z−3/4; (xvi) z, −y+1/4, −x+1/4; (xvii) x, y−1/2, z−1/2; (xviii) z, x+1/2, y+1/2; (xix) −y+1/2, −z+1, −x+1/2; (xx) y+1/2, z, x+1/2; (xxi) z+3/4, y+1/4, −x+1/2; (xxii) −x+1/2, y+1/4, z+3/4; (xxiii) y+1/4, −x+1/2, z+3/4; (xxiv) −y+3/4, x+1/2, −z+1/4; (xxv) x+1/2, −y+3/4, −z+1/4; (xxvi) −z+1/4, −y+3/4, x+1/2; (xxvii) x+1/4, y+1/4, −z+1; (xxviii) z, −y+3/4, −x+3/4; (xxix) −z+1, y+1/4, x+1/4; (xxx) x+1/4, −z+1, y+1/4; (xxxi) −x+3/4, z, −y+3/4; (xxxii) y, −x+3/4, −z+3/4; (xxxiii) −y+3/4, x, −z+3/4; (xxxiv) −x+3/4, −z+3/4, y; (xxxv) −z+3/4, x, −y+3/4; (xxxvi) y, −z+3/4, −x+3/4; (xxxvii) −z+3/4, −y+3/4, x.

(273k) top

Crystal data top

0.01(C_10.93Na_0.63O₂₇₂Si₁₃₆)·0.38(C)	D_x = 1.953 Mg m⁻³
M_r = 63.35	Mo Kα radiation, λ = 0.71073 Å
Cubic, Fd3m	Cell parameters from 32011 reflections
a = 19.4214 (15) Å	θ = 3–67°
V = 7325.6 (17) Å³	µ = 0.70 mm⁻¹
Z = 136	T = 273 K
F(000) = 4301	Platelet

Data collection top

StoeStadiVari diffractometer	θ_max = 33.3°, θ_min = 3.0°
30687 measured reflections	h = −29→29
722 independent reflections	k = −29→29
638 reflections with I > 2σ(I)	l = −14→29
R_int = 0.106

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + 237.P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.080	(Δ/σ)_max < 0.001
wR(F²) = 0.161	Δρ_max = 0.97 e Å⁻³
S = 1.26	Δρ_min = −1.26 e Å⁻³
722 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
46 parameters	Extinction coefficient: 0.00035 (9)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1	0.06748 (6)	0.06748 (6)	0.36963 (8)	0.0247 (4)
Si2	0.21635 (7)	0.21635 (7)	0.21635 (7)	0.0170 (5)
Si3	0.1250	0.1250	0.1250	0.0175 (9)
O1	0.0000	0.3433 (3)	−0.3433 (3)	0.0648 (18)
O2	0.2001 (3)	0.2001 (3)	0.2930 (3)	0.085 (3)
O3	0.3734 (5)	0.1250	0.1250	0.0498 (18)
O4	0.1709 (3)	0.1709 (3)	0.1709 (3)	0.116 (6)
Na	0.5000	0.5000	0.5000	0.050*	0.039 (19)
C1	0.0000	0.0000	0.0000	0.072 (7)
C2A	0.334 (11)	0.334 (11)	0.334 (11)	0.050*	0.06 (12)
C2B	0.397 (4)	0.397 (4)	0.397 (4)	0.050*	0.13 (4)
C2C	0.361 (2)	0.361 (2)	0.300 (3)	0.050*	0.15 (2)
C2D	0.343 (3)	0.343 (3)	0.437 (4)	0.050*	0.11 (2)
C2E	0.324 (3)	0.324 (3)	0.356 (5)	0.050*	0.15 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1	0.0275 (5)	0.0275 (5)	0.0191 (7)	0.0058 (6)	−0.0057 (4)	−0.0057 (4)
Si2	0.0170 (5)	0.0170 (5)	0.0170 (5)	−0.0013 (5)	−0.0013 (5)	−0.0013 (5)
Si3	0.0175 (9)	0.0175 (9)	0.0175 (9)	0.000	0.000	0.000
O1	0.036 (3)	0.079 (3)	0.079 (3)	−0.0120 (18)	−0.0120 (18)	−0.019 (3)
O2	0.112 (4)	0.112 (4)	0.032 (3)	0.006 (5)	0.029 (3)	0.029 (3)
O3	0.064 (5)	0.043 (3)	0.043 (3)	0.000	0.000	−0.009 (3)
O4	0.116 (6)	0.116 (6)	0.116 (6)	−0.051 (4)	−0.051 (4)	−0.051 (4)
C1	0.072 (7)	0.072 (7)	0.072 (7)	−0.008 (7)	−0.008 (7)	−0.008 (7)

Geometric parameters (Å, º) top

Si1—O1ⁱ	1.5770 (12)	C2A—C2D^xxxv	1.48 (17)
Si1—O1ⁱⁱ	1.5770 (12)	C2A—C2E	0.51 (11)
Si1—O2ⁱⁱⁱ	1.565 (6)	C2A—C2E^viii	0.51 (11)
Si1—O3^iv	1.5816 (17)	C2A—C2E^vii	0.51 (11)
Si1—Na^v	3.1377 (17)	C2B—C2C^xxxvi	1.26 (5)
Si1—Na^vi	5.6163 (16)	C2B—C2C^xxxvii	1.26 (5)
Si2—O2^vii	1.553 (5)	C2B—C2C^xxxii	1.26 (5)
Si2—O2	1.553 (5)	C2B—C2C^xxxiii	1.26 (5)
Si2—O2^viii	1.553 (5)	C2B—C2C^xxxiv	1.26 (5)
Si2—O4	1.528 (11)	C2B—C2C^xxxv	1.26 (5)
Si2—Na^ix	5.5860 (17)	C2B—C2D^vi	0.83 (10)
Si2—Na^vi	5.5860 (17)	C2B—C2D^xxviii	0.83 (10)
Si2—Na^x	5.5860 (17)	C2B—C2D^xxxi	0.83 (10)
Si3—O4^xi	1.544 (10)	C2B—C2E^xxxi	1.13 (8)
Si3—O4	1.544 (10)	C2B—C2E^xxviii	1.13 (8)
Si3—O4^xii	1.544 (10)	C2B—C2E^vi	1.13 (8)
Si3—O4ⁱⁱⁱ	1.544 (10)	C2C—C2A^vi	1.6 (2)
O1—Si1^xiii	1.5770 (12)	C2C—C2B^xxxii	1.26 (5)
O1—Si1^xiv	1.5770 (12)	C2C—C2B^xxxiii	1.26 (5)
O1—Na^xv	2.563 (7)	C2C—C2C^vi	0.76 (11)
O2—Si1ⁱⁱⁱ	1.565 (6)	C2C—C2D^xxxii	0.98 (7)
O2—Na^vi	4.248 (7)	C2C—C2D^xxxiii	0.98 (7)
O3—Si1^viii	1.5817 (17)	C2C—C2E	1.50 (12)
O3—Si1^xvi	1.5817 (17)	C2C—C2E^xxxiv	1.49 (6)
O3—Na^ix	4.223 (5)	C2C—C2E^xxxv	1.49 (6)
O3—Na^xvii	4.223 (5)	C2C—C2E^vii	0.87 (5)
Na—Si1^xviii	3.1377 (17)	C2C—C2E^viii	0.87 (5)
Na—Si1^xix	3.1377 (17)	C2D—C2A^xxxii	1.48 (17)
Na—Si1^xx	3.1377 (17)	C2D—C2A^xxxiii	1.48 (17)
Na—O1^xxi	2.563 (7)	C2D—C2B^vi	0.83 (10)
Na—O1^xxii	2.563 (7)	C2D—C2C^xxxii	0.98 (7)
Na—O1^xxiii	2.563 (7)	C2D—C2C^xxxiii	0.98 (7)
Na—O1^xxiv	2.563 (7)	C2D—C2C^xxviii	1.54 (6)
Na—O1^xxv	2.563 (7)	C2D—C2C^xxxi	1.54 (6)
Na—O1^xxvi	2.563 (7)	C2D—C2D^xxxvi	0.84 (12)
Na—C2D^xxvii	2.84 (8)	C2D—C2D^xxxvii	0.84 (12)
Na—C2D^xxviii	2.84 (8)	C2D—C2E	1.66 (11)
Na—C2D^xxix	2.84 (8)	C2D—C2E^xxxvii	1.08 (9)
Na—C2D^xxx	2.84 (8)	C2D—C2E^xxxvi	1.08 (9)
Na—C2D^vi	2.84 (8)	C2E—C2B^xxxii	1.53 (9)
Na—C2D^xxxi	2.84 (8)	C2E—C2B^vi	1.13 (8)
C2A—C2B^xxxii	1.3 (3)	C2E—C2C^viii	0.87 (5)
C2A—C2B^vi	1.3 (3)	C2E—C2C^xxxi	1.49 (6)
C2A—C2B^xxxiii	1.3 (3)	C2E—C2C^vii	0.87 (5)
C2A—C2C^vii	1.00 (10)	C2E—C2C^xxviii	1.49 (6)
C2A—C2C	1.00 (10)	C2E—C2D^xxxvii	1.08 (9)
C2A—C2C^viii	1.00 (10)	C2E—C2D^xxxvi	1.08 (9)
C2A—C2D^xxxiii	1.48 (17)	C2E—C2E^vii	0.89 (18)
C2A—C2D^xxxiv	1.48 (17)	C2E—C2E^viii	0.89 (18)

O1ⁱ—Si1—O1ⁱⁱ	108.7 (5)	C2D^xxxi—C2B—C2C^xxxiii	111 (10)
O1ⁱ—Si1—O3^iv	109.9 (2)	C2D^xxxi—C2B—C2C^xxxii	93 (6)
O1ⁱⁱ—Si1—O3^iv	109.9 (2)	C2D^xxviii—C2B—C2C^xxxv	93 (6)
O1ⁱⁱ—Si1—Na^vi	96.77 (6)	C2D^xxxi—C2B—C2C^xxxvii	111 (10)
O1ⁱⁱ—Si1—Na^v	54.4 (3)	C2D^xxviii—C2B—C2C^xxxii	111 (10)
O1ⁱ—Si1—Na^vi	96.77 (6)	C2D^xxviii—C2B—C2C^xxxiv	51 (5)
O1ⁱ—Si1—Na^v	54.4 (3)	C2D^vi—C2B—C2C^xxxii	51 (5)
O2ⁱⁱⁱ—Si1—O1ⁱⁱ	108.8 (2)	C2D^vi—C2B—C2C^xxxvii	93 (6)
O2ⁱⁱⁱ—Si1—O1ⁱ	108.8 (2)	C2D^xxxi—C2B—C2C^xxxvi	51 (5)
O2ⁱⁱⁱ—Si1—O3^iv	110.6 (5)	C2D^xxxi—C2B—C2C^xxxiv	93 (6)
O2ⁱⁱⁱ—Si1—Na^vi	134.7 (3)	C2D^xxxi—C2B—C2C^xxxv	51 (5)
O2ⁱⁱⁱ—Si1—Na^v	125.8 (3)	C2D^xxviii—C2B—C2C^xxxvii	51 (5)
O3^iv—Si1—Na^v	123.6 (3)	C2D^xxviii—C2B—C2C^xxxiii	93 (6)
O3^iv—Si1—Na^vi	24.1 (3)	C2D^xxviii—C2B—C2C^xxxvi	111 (10)
Na^v—Si1—Na^vi	99.41 (3)	C2D^xxxi—C2B—C2D^vi	61 (10)
O2^vii—Si2—O2	110.4 (3)	C2D^xxviii—C2B—C2D^xxxi	61 (10)
O2^vii—Si2—O2^viii	110.4 (3)	C2D^xxviii—C2B—C2D^vi	61 (10)
O2^viii—Si2—O2	110.4 (3)	C2D^vi—C2B—C2E^vi	116 (10)
O2—Si2—Na^ix	96.4 (3)	C2D^xxviii—C2B—C2E^xxxi	65 (6)
O2^viii—Si2—Na^ix	26.2 (3)	C2D^xxxi—C2B—C2E^vi	65 (6)
O2^vii—Si2—Na^vi	96.4 (3)	C2D^xxviii—C2B—C2E^xxviii	116 (10)
O2^viii—Si2—Na^x	96.4 (3)	C2D^vi—C2B—C2E^xxviii	65 (6)
O2^viii—Si2—Na^vi	96.4 (3)	C2D^xxxi—C2B—C2E^xxviii	65 (6)
O2^vii—Si2—Na^ix	96.4 (3)	C2D^vi—C2B—C2E^xxxi	65 (6)
O2^vii—Si2—Na^x	26.2 (3)	C2D^xxxi—C2B—C2E^xxxi	116 (10)
O2—Si2—Na^vi	26.2 (3)	C2D^xxviii—C2B—C2E^vi	65 (6)
O2—Si2—Na^x	96.4 (3)	C2E^xxviii—C2B—C2C^xxxiii	77 (3)
O4—Si2—O2^viii	108.6 (3)	C2E^xxviii—C2B—C2C^xxxii	42 (2)
O4—Si2—O2	108.6 (3)	C2E^xxviii—C2B—C2C^xxxvii	157 (9)
O4—Si2—O2^vii	108.6 (3)	C2E^xxviii—C2B—C2C^xxxiv	157 (9)
O4—Si2—Na^ix	134.789 (17)	C2E^vi—C2B—C2C^xxxii	157 (9)
O4—Si2—Na^x	134.789 (17)	C2E^vi—C2B—C2C^xxxiv	42 (2)
O4—Si2—Na^vi	134.789 (17)	C2E^vi—C2B—C2C^xxxvi	77 (3)
Na^x—Si2—Na^vi	75.85 (3)	C2E^vi—C2B—C2C^xxxv	42 (2)
Na^ix—Si2—Na^vi	75.85 (3)	C2E^xxxi—C2B—C2C^xxxvi	157 (9)
Na^x—Si2—Na^ix	75.85 (3)	C2E^xxxi—C2B—C2C^xxxii	77 (3)
O4ⁱⁱⁱ—Si3—O4	109.471 (1)	C2E^xxviii—C2B—C2C^xxxv	77 (3)
O4ⁱⁱⁱ—Si3—O4^xii	109.5	C2E^vi—C2B—C2C^xxxvii	77 (3)
O4^xi—Si3—O4ⁱⁱⁱ	109.471 (1)	C2E^xxxi—C2B—C2C^xxxv	157 (9)
O4^xi—Si3—O4^xii	109.5	C2E^xxxi—C2B—C2C^xxxiii	42 (2)
O4^xii—Si3—O4	109.471 (2)	C2E^vi—C2B—C2C^xxxiii	157 (9)
O4^xi—Si3—O4	109.471 (1)	C2E^xxxi—C2B—C2C^xxxiv	77 (3)
Si1^xiii—O1—Si1^xiv	168.8 (5)	C2E^xxxi—C2B—C2C^xxxvii	42 (2)
Si1^xiv—O1—Na^xv	95.6 (3)	C2E^xxviii—C2B—C2C^xxxvi	42 (2)
Si1^xiii—O1—Na^xv	95.6 (3)	C2E^xxviii—C2B—C2E^xxxi	117 (5)
Si1ⁱⁱⁱ—O2—Na^vi	36.8 (3)	C2E^xxviii—C2B—C2E^vi	117 (5)
Si2—O2—Si1ⁱⁱⁱ	178.8 (7)	C2E^xxxi—C2B—C2E^vi	117 (5)
Si2—O2—Na^vi	144.5 (4)	C2A—C2C—C2A^vi	113 (10)
Si1^viii—O3—Si1^xvi	174.7 (7)	C2A—C2C—C2B^xxxii	70 (10)
Si1^xvi—O3—Na^ix	38.3 (2)	C2A—C2C—C2B^xxxiii	70 (10)
Si1^viii—O3—Na^xvii	38.3 (2)	C2A—C2C—C2D^xxxiii	96 (10)
Si1^xvi—O3—Na^xvii	147.0 (4)	C2A—C2C—C2D^xxxii	96 (10)
Si1^viii—O3—Na^ix	147.0 (4)	C2A—C2C—C2E	4 (10)
Na^ix—O3—Na^xvii	108.8 (2)	C2A—C2C—C2E^xxxiv	117 (10)
Si2—O4—Si3	180.0 (11)	C2A—C2C—C2E^xxxv	117 (10)
Si1^xviii—Na—Si1^xix	119.973 (2)	C2B^xxxii—C2C—C2A^vi	52 (9)
Si1^xviii—Na—Si1^xx	180.0	C2B^xxxiii—C2C—C2A^vi	52 (9)
Si1^xx—Na—Si1^xix	60.027 (2)	C2B^xxxiii—C2C—C2B^xxxii	57 (10)
O1^xxiv—Na—Si1^xix	30.013 (1)	C2B^xxxiii—C2C—C2E^xxxv	67 (5)
O1^xxii—Na—Si1^xx	149.987 (1)	C2B^xxxii—C2C—C2E	67 (5)
O1^xxv—Na—Si1^xix	90.0	C2B^xxxiii—C2C—C2E	67 (5)
O1^xxi—Na—Si1^xx	90.0	C2B^xxxii—C2C—C2E^xxxiv	67 (5)
O1^xxiv—Na—Si1^xx	30.013 (1)	C2B^xxxii—C2C—C2E^xxxv	48 (3)
O1^xxiii—Na—Si1^xx	149.987 (1)	C2B^xxxiii—C2C—C2E^xxxiv	48 (3)
O1^xxii—Na—Si1^xix	90.0	C2C^vi—C2C—C2A^vi	24 (10)
O1^xxi—Na—Si1^xix	30.013 (1)	C2C^vi—C2C—C2A	137 (10)
O1^xxv—Na—Si1^xviii	149.987 (1)	C2C^vi—C2C—C2B^xxxii	72 (2)
O1^xxv—Na—Si1^xx	30.013 (1)	C2C^vi—C2C—C2B^xxxiii	72 (2)
O1^xxiv—Na—Si1^xviii	149.987 (1)	C2C^vi—C2C—C2D^xxxii	67 (4)
O1^xxi—Na—Si1^xviii	90.0	C2C^vi—C2C—C2D^xxxiii	67 (3)
O1^xxvi—Na—Si1^xx	90.0	C2C^vi—C2C—C2E	133 (4)
O1^xxiii—Na—Si1^xix	149.987 (1)	C2C^vi—C2C—C2E^vii	132 (7)
O1^xxvi—Na—Si1^xviii	90.0	C2C^vi—C2C—C2E^xxxv	26 (3)
O1^xxii—Na—Si1^xviii	30.013 (1)	C2C^vi—C2C—C2E^xxxiv	26 (3)
O1^xxvi—Na—Si1^xix	149.987 (1)	C2C^vi—C2C—C2E^viii	132 (7)
O1^xxiii—Na—Si1^xviii	30.013 (1)	C2D^xxxii—C2C—C2A^vi	63 (4)
O1^xxv—Na—O1^xxiv	60.0	C2D^xxxiii—C2C—C2A^vi	63 (4)
O1^xxvi—Na—O1^xxiv	120.0	C2D^xxxiii—C2C—C2B^xxxii	41 (6)
O1^xxi—Na—O1^xxiii	120.0	C2D^xxxiii—C2C—C2B^xxxiii	95 (10)
O1^xxii—Na—O1^xxv	180.0	C2D^xxxii—C2C—C2B^xxxii	95 (10)
O1^xxii—Na—O1^xxiv	120.0	C2D^xxxii—C2C—C2B^xxxiii	41 (6)
O1^xxvi—Na—O1^xxv	60.0	C2D^xxxiii—C2C—C2D^xxxii	125 (9)
O1^xxi—Na—O1^xxii	60.0	C2D^xxxii—C2C—C2E^xxxiv	46 (5)
O1^xxvi—Na—O1^xxiii	60.0	C2D^xxxii—C2C—C2E	94 (5)
O1^xxv—Na—O1^xxiii	120.0	C2D^xxxii—C2C—C2E^xxxv	80 (6)
O1^xxvi—Na—O1^xxi	180.0	C2D^xxxiii—C2C—C2E^xxxv	46 (5)
O1^xxiv—Na—O1^xxiii	180.0	C2D^xxxiii—C2C—C2E	94 (5)
O1^xxvi—Na—O1^xxii	120.0	C2D^xxxiii—C2C—C2E^xxxiv	80 (6)
O1^xxii—Na—O1^xxiii	60.0	C2E^vii—C2C—C2A	31 (8)
O1^xxi—Na—O1^xxv	120.0	C2E^xxxiv—C2C—C2A^vi	18 (5)
O1^xxi—Na—O1^xxiv	60.0	C2E^viii—C2C—C2A	31 (8)
O1^xxiv—Na—C2D^xxvii	98.5 (13)	C2E^viii—C2C—C2A^vi	113 (8)
O1^xxi—Na—C2D^xxx	98.5 (13)	C2E—C2C—C2A^vi	109 (10)
O1^xxvi—Na—C2D^xxxi	98.5 (13)	C2E^vii—C2C—C2A^vi	113 (8)
O1^xxiii—Na—C2D^xxvii	81.5 (13)	C2E^xxxv—C2C—C2A^vi	18 (5)
O1^xxii—Na—C2D^xxix	90.000 (7)	C2E^viii—C2C—C2B^xxxiii	90 (9)
O1^xxi—Na—C2D^xxix	81.5 (13)	C2E^vii—C2C—C2B^xxxiii	61 (6)
O1^xxiv—Na—C2D^xxxi	90.000 (10)	C2E^viii—C2C—C2B^xxxii	61 (6)
O1^xxv—Na—C2D^xxix	90.000 (3)	C2E^vii—C2C—C2B^xxxii	90 (9)
O1^xxv—Na—C2D^xxviii	90.000 (7)	C2E^vii—C2C—C2D^xxxiii	125 (10)
O1^xxiii—Na—C2D^xxix	98.5 (13)	C2E^viii—C2C—C2D^xxxiii	71 (7)
O1^xxii—Na—C2D^xxvii	81.5 (13)	C2E^viii—C2C—C2D^xxxii	125 (10)
O1^xxi—Na—C2D^xxxi	81.5 (13)	C2E^vii—C2C—C2D^xxxii	71 (7)
O1^xxv—Na—C2D^xxvii	98.5 (13)	C2E^vii—C2C—C2E^viii	61 (10)
O1^xxv—Na—C2D^xxxi	98.5 (13)	C2E^vii—C2C—C2E	31 (7)
O1^xxiii—Na—C2D^xxxi	90.000 (2)	C2E^viii—C2C—C2E	31 (7)
O1^xxii—Na—C2D^xxx	98.5 (13)	C2E^xxxiv—C2C—C2E	113 (7)
O1^xxv—Na—C2D^xxx	81.5 (13)	C2E^xxxv—C2C—C2E	113 (7)
O1^xxvi—Na—C2D^vi	90.000 (5)	C2E^xxxiv—C2C—C2E^xxxv	35 (8)
O1^xxvi—Na—C2D^xxx	81.5 (13)	C2E^vii—C2C—C2E^xxxv	126 (10)
O1^xxi—Na—C2D^vi	90.000 (8)	C2E^viii—C2C—C2E^xxxv	106 (9)
O1^xxiv—Na—C2D^xxix	81.5 (13)	C2E^vii—C2C—C2E^xxxiv	106 (9)
O1^xxii—Na—C2D^vi	98.5 (13)	C2E^viii—C2C—C2E^xxxiv	126 (10)
O1^xxiv—Na—C2D^xxx	90.000 (2)	C2A^xxxii—C2D—C2A^xxxiii	98 (10)
O1^xxv—Na—C2D^vi	81.5 (13)	C2A^xxxiii—C2D—C2C^xxviii	115 (10)
O1^xxvi—Na—C2D^xxix	98.5 (13)	C2A^xxxiii—C2D—C2C^xxxi	39 (3)
O1^xxiv—Na—C2D^vi	81.5 (13)	C2A^xxxii—C2D—C2C^xxxi	115 (10)
O1^xxiii—Na—C2D^xxx	90.000 (10)	C2A^xxxii—C2D—C2C^xxviii	39 (3)
O1^xxiii—Na—C2D^vi	98.5 (13)	C2A^xxxiii—C2D—C2E	85 (8)
O1^xxii—Na—C2D^xxxi	81.5 (13)	C2A^xxxii—C2D—C2E	85 (8)
O1^xxvi—Na—C2D^xxviii	81.5 (13)	C2B^vi—C2D—C2A^xxxiii	63 (10)
O1^xxvi—Na—C2D^xxvii	90.000 (8)	C2B^vi—C2D—C2A^xxxii	63 (10)
O1^xxii—Na—C2D^xxviii	90.000 (3)	C2B^vi—C2D—C2C^xxxiii	88 (8)
O1^xxiv—Na—C2D^xxviii	98.5 (13)	C2B^vi—C2D—C2C^xxviii	55 (4)
O1^xxi—Na—C2D^xxviii	98.5 (13)	C2B^vi—C2D—C2C^xxxii	88 (8)
O1^xxi—Na—C2D^xxvii	90.000 (4)	C2B^vi—C2D—C2C^xxxi	55 (4)
O1^xxiii—Na—C2D^xxviii	81.5 (13)	C2B^vi—C2D—C2E^xxxvii	72 (6)
C2D^xxx—Na—Si1^xx	86.0 (7)	C2B^vi—C2D—C2E	38 (7)
C2D^xxvii—Na—Si1^xx	100.7 (15)	C2B^vi—C2D—C2E^xxxvi	72 (6)
C2D^xxvii—Na—Si1^xviii	79.3 (15)	C2C^xxxii—C2D—C2A^xxxiii	81 (7)
C2D^xxx—Na—Si1^xix	94.0 (7)	C2C^xxxiii—C2D—C2A^xxxiii	42 (5)
C2D^xxx—Na—Si1^xviii	94.0 (7)	C2C^xxxiii—C2D—C2A^xxxii	81 (7)
C2D^vi—Na—Si1^xx	79.3 (15)	C2C^xxxii—C2D—C2A^xxxii	42 (5)
C2D^vi—Na—Si1^xviii	100.7 (15)	C2C^xxxiii—C2D—C2C^xxxii	45 (7)
C2D^xxix—Na—Si1^xix	79.3 (15)	C2C^xxxii—C2D—C2C^xxviii	81 (6)
C2D^xxxi—Na—Si1^xix	86.0 (7)	C2C^xxxiii—C2D—C2C^xxviii	117 (7)
C2D^xxviii—Na—Si1^xviii	86.0 (7)	C2C^xxviii—C2D—C2C^xxxi	105 (6)
C2D^xxvii—Na—Si1^xix	94.0 (7)	C2C^xxxiii—C2D—C2C^xxxi	81 (6)
C2D^vi—Na—Si1^xix	86.0 (7)	C2C^xxxii—C2D—C2C^xxxi	117 (7)
C2D^xxix—Na—Si1^xx	86.0 (7)	C2C^xxxii—C2D—C2E^xxxvi	50 (4)
C2D^xxix—Na—Si1^xviii	94.0 (7)	C2C^xxviii—C2D—C2E	55 (3)
C2D^xxviii—Na—Si1^xx	94.0 (7)	C2C^xxxiii—C2D—C2E^xxxvi	93 (7)
C2D^xxviii—Na—Si1^xix	100.7 (15)	C2C^xxxiii—C2D—C2E^xxxvii	50 (4)
C2D^xxxi—Na—Si1^xviii	86.0 (7)	C2C^xxxiii—C2D—C2E	122 (8)
C2D^xxxi—Na—Si1^xx	94.0 (7)	C2C^xxxii—C2D—C2E	122 (8)
C2D^xxix—Na—C2D^xxx	17 (3)	C2C^xxxi—C2D—C2E	55 (3)
C2D^xxxi—Na—C2D^vi	17 (3)	C2C^xxxii—C2D—C2E^xxxvii	93 (7)
C2D^xxvii—Na—C2D^vi	180.0	C2D^xxxvi—C2D—C2A^xxxii	118 (10)
C2D^xxviii—Na—C2D^xxx	163 (3)	C2D^xxxvi—C2D—C2A^xxxiii	74 (3)
C2D^xxx—Na—C2D^vi	163 (3)	C2D^xxxvii—C2D—C2A^xxxiii	118 (10)
C2D^xxviii—Na—C2D^xxxi	17 (3)	C2D^xxxvii—C2D—C2A^xxxii	74 (3)
C2D^xxix—Na—C2D^vi	163 (3)	C2D^xxxvii—C2D—C2B^vi	60 (6)
C2D^xxxi—Na—C2D^xxx	180.0	C2D^xxxvi—C2D—C2B^vi	60 (6)
C2D^xxviii—Na—C2D^xxix	180.0 (17)	C2D^xxxvi—C2D—C2C^xxxii	145 (6)
C2D^xxx—Na—C2D^xxvii	17 (3)	C2D^xxxvi—C2D—C2C^xxxiii	116 (5)
C2D^xxix—Na—C2D^xxxi	163 (3)	C2D^xxxvi—C2D—C2C^xxxi	35 (3)
C2D^xxviii—Na—C2D^vi	17 (3)	C2D^xxxvii—C2D—C2C^xxviii	35 (3)
C2D^xxix—Na—C2D^xxvii	17 (3)	C2D^xxxvii—C2D—C2C^xxxiii	145 (6)
C2D^xxviii—Na—C2D^xxvii	163 (3)	C2D^xxxvii—C2D—C2C^xxxii	116 (5)
C2D^xxxi—Na—C2D^xxvii	163 (3)	C2D^xxxvi—C2D—C2C^xxviii	89 (3)
C2B^xxxiii—C2A—C2B^vi	54 (10)	C2D^xxxvii—C2D—C2C^xxxi	89 (3)
C2B^xxxii—C2A—C2B^vi	54 (10)	C2D^xxxvi—C2D—C2D^xxxvii	60.01 (3)
C2B^xxxii—C2A—C2B^xxxiii	54 (10)	C2D^xxxvii—C2D—C2E	33.9 (19)
C2B^vi—C2A—C2D^xxxv	73 (10)	C2D^xxxvi—C2D—C2E^xxxvii	67 (4)
C2B^xxxii—C2A—C2D^xxxiii	34 (6)	C2D^xxxvi—C2D—C2E	33.9 (19)
C2B^xxxiii—C2A—C2D^xxxv	88 (10)	C2D^xxxvii—C2D—C2E^xxxvii	120 (5)
C2B^vi—C2A—C2D^xxxiv	73 (10)	C2D^xxxvi—C2D—C2E^xxxvi	120 (5)
C2B^xxxii—C2A—C2D^xxxiv	88 (10)	C2D^xxxvii—C2D—C2E^xxxvi	67 (4)
C2B^xxxii—C2A—C2D^xxxv	34 (6)	C2E^xxxvii—C2D—C2A^xxxii	113 (10)
C2B^xxxiii—C2A—C2D^xxxiv	34 (6)	C2E^xxxvii—C2D—C2A^xxxiii	15 (10)
C2B^vi—C2A—C2D^xxxiii	88 (10)	C2E^xxxvi—C2D—C2A^xxxiii	113 (10)
C2B^xxxiii—C2A—C2D^xxxiii	73 (10)	C2E^xxxvi—C2D—C2A^xxxii	15 (10)
C2C^vii—C2A—C2B^xxxii	64 (10)	C2E^xxxvi—C2D—C2C^xxviii	33 (3)
C2C^viii—C2A—C2B^xxxiii	64 (10)	C2E^xxxvi—C2D—C2C^xxxi	126 (8)
C2C^vii—C2A—C2B^xxxiii	110 (10)	C2E^xxxvii—C2D—C2C^xxxi	33 (3)
C2C—C2A—C2B^xxxiii	64 (10)	C2E^xxxvii—C2D—C2C^xxviii	126 (8)
C2C^viii—C2A—C2B^xxxii	110 (10)	C2E^xxxvi—C2D—C2E^xxxvii	127 (10)
C2C—C2A—C2B^xxxii	64 (10)	C2E^xxxvii—C2D—C2E	87 (6)
C2C—C2A—C2B^vi	110 (10)	C2E^xxxvi—C2D—C2E	87 (6)
C2C^viii—C2A—C2B^vi	64 (10)	C2A—C2E—C2B^xxxii	56 (10)
C2C^vii—C2A—C2B^vi	64 (10)	C2A—C2E—C2B^vi	100 (10)
C2C^vii—C2A—C2C	116 (10)	C2A—C2E—C2C^xxviii	98 (10)
C2C^viii—C2A—C2C	116 (10)	C2A—C2E—C2C^viii	89 (10)
C2C^viii—C2A—C2C^vii	116 (10)	C2A—C2E—C2C^vii	89 (10)
C2C—C2A—C2D^xxxiii	42 (7)	C2A—C2E—C2C^xxxi	98 (10)
C2C—C2A—C2D^xxxiv	74 (10)	C2A—C2E—C2C	8 (10)
C2C^vii—C2A—C2D^xxxv	42 (7)	C2A—C2E—C2D^xxxvi	134 (10)
C2C^viii—C2A—C2D^xxxiv	42 (7)	C2A—C2E—C2D^xxxvii	134 (10)
C2C^viii—C2A—C2D^xxxv	137 (10)	C2A—C2E—C2E^vii	30.0 (9)
C2C^vii—C2A—C2D^xxxiv	137 (10)	C2A—C2E—C2E^viii	30.0 (8)
C2C^vii—C2A—C2D^xxxiii	74 (10)	C2B^vi—C2E—C2B^xxxii	51 (10)
C2C^viii—C2A—C2D^xxxiii	137 (10)	C2B^vi—C2E—C2C^xxviii	55 (3)
C2C—C2A—C2D^xxxv	74 (10)	C2B^vi—C2E—C2C^xxxi	55 (3)
C2D^xxxiv—C2A—C2D^xxxv	122 (10)	C2B^vi—C2E—C2C	92 (9)
C2D^xxxiv—C2A—C2D^xxxiii	101 (10)	C2B^vi—C2E—C2D^xxxvii	44 (6)
C2D^xxxv—C2A—C2D^xxxiii	33 (6)	C2B^vi—C2E—C2D^xxxvi	44 (6)
C2E^viii—C2A—C2B^xxxiii	105 (10)	C2C—C2E—C2B^xxxii	49 (4)
C2E^vii—C2A—C2B^vi	105 (10)	C2C^viii—C2E—C2B^vi	77 (7)
C2E—C2A—C2B^xxxii	105 (10)	C2C^viii—C2E—C2B^xxxii	101 (9)
C2E—C2A—C2B^vi	58 (10)	C2C^xxxi—C2E—C2B^xxxii	49 (3)
C2E^vii—C2A—C2B^xxxiii	58 (10)	C2C^vii—C2E—C2B^xxxii	55 (7)
C2E^vii—C2A—C2B^xxxii	105 (10)	C2C^vii—C2E—C2B^vi	77 (7)
C2E^viii—C2A—C2B^vi	105 (10)	C2C^xxviii—C2E—C2B^xxxii	90 (6)
C2E^viii—C2A—C2B^xxxii	58 (10)	C2C^vii—C2E—C2C	87 (7)
C2E—C2A—C2B^xxxiii	105 (10)	C2C^vii—C2E—C2C^viii	153 (10)
C2E—C2A—C2C	167 (10)	C2C^viii—C2E—C2C	87 (7)
C2E^vii—C2A—C2C	61 (9)	C2C^xxviii—C2E—C2C^xxxi	111 (7)
C2E^viii—C2A—C2C^viii	167 (10)	C2C^viii—C2E—C2C^xxxi	132 (9)
C2E^viii—C2A—C2C^vii	61 (9)	C2C^xxxi—C2E—C2C	93 (5)
C2E^viii—C2A—C2C	61 (9)	C2C^vii—C2E—C2C^xxxi	22 (5)
C2E^vii—C2A—C2C^viii	61 (9)	C2C^vii—C2E—C2C^xxviii	132 (9)
C2E—C2A—C2C^vii	61 (9)	C2C^viii—C2E—C2C^xxviii	22 (5)
C2E^vii—C2A—C2C^vii	167 (10)	C2C^xxviii—C2E—C2C	93 (5)
C2E—C2A—C2C^viii	61 (9)	C2C^viii—C2E—C2D^xxxvi	104 (9)
C2E^vii—C2A—C2D^xxxv	132 (10)	C2C^vii—C2E—C2D^xxxvii	104 (9)
C2E—C2A—C2D^xxxiv	100 (10)	C2C^viii—C2E—C2D^xxxvii	60 (6)
C2E^viii—C2A—C2D^xxxiv	132 (10)	C2C^vii—C2E—C2D^xxxvi	60 (6)
C2E^vii—C2A—C2D^xxxiii	100 (10)	C2C^viii—C2E—C2E^viii	118 (7)
C2E—C2A—C2D^xxxv	100 (10)	C2C^vii—C2E—C2E^viii	59 (7)
C2E^vii—C2A—C2D^xxxiv	32 (10)	C2C^vii—C2E—C2E^vii	118 (7)
C2E—C2A—C2D^xxxiii	132 (10)	C2C^viii—C2E—C2E^vii	59 (7)
C2E^viii—C2A—C2D^xxxv	32 (10)	C2D^xxxvi—C2E—C2B^xxxii	77 (6)
C2E^viii—C2A—C2D^xxxiii	32 (10)	C2D^xxxvii—C2E—C2B^xxxii	95 (9)
C2E^vii—C2A—C2E^viii	120.0 (18)	C2D^xxxvi—C2E—C2C^xxxi	41 (4)
C2E^vii—C2A—C2E	120.0 (17)	C2D^xxxvi—C2E—C2C	126 (8)
C2E^viii—C2A—C2E	120.0 (18)	C2D^xxxvii—C2E—C2C	126 (8)
C2C^xxxvii—C2B—C2C^xxxiv	35 (5)	C2D^xxxvii—C2E—C2C^xxviii	41 (4)
C2C^xxxvi—C2B—C2C^xxxiv	119.3 (17)	C2D^xxxvi—C2E—C2C^xxviii	84 (6)
C2C^xxxvii—C2B—C2C^xxxii	119.3 (17)	C2D^xxxvii—C2E—C2C^xxxi	84 (6)
C2C^xxxvi—C2B—C2C^xxxii	84 (5)	C2D^xxxvi—C2E—C2D^xxxvii	46 (8)
C2C^xxxvi—C2B—C2C^xxxvii	153 (6)	C2E^viii—C2E—C2B^vi	98 (7)
C2C^xxxiv—C2B—C2C^xxxv	84 (5)	C2E^vii—C2E—C2B^vi	98 (7)
C2C^xxxvii—C2B—C2C^xxxiii	84 (5)	C2E^viii—C2E—C2B^xxxii	47 (5)
C2C^xxxvi—C2B—C2C^xxxiii	119.3 (18)	C2E^vii—C2E—C2B^xxxii	73 (3)
C2C^xxxiii—C2B—C2C^xxxii	35 (5)	C2E^viii—C2E—C2C^xxviii	122 (4)
C2C^xxxiv—C2B—C2C^xxxiii	119.3 (17)	C2E^viii—C2E—C2C	30.9 (9)
C2C^xxxvi—C2B—C2C^xxxv	35 (5)	C2E^vii—C2E—C2C	30.9 (9)
C2C^xxxiv—C2B—C2C^xxxii	153 (6)	C2E^viii—C2E—C2C^xxxi	73 (4)
C2C^xxxv—C2B—C2C^xxxiii	153 (6)	C2E^vii—C2E—C2C^xxxi	122 (4)
C2C^xxxv—C2B—C2C^xxxii	119.3 (17)	C2E^vii—C2E—C2C^xxviii	73 (4)
C2C^xxxvii—C2B—C2C^xxxv	119.3 (17)	C2E^viii—C2E—C2D^xxxvi	113 (5)
C2D^vi—C2B—C2C^xxxv	111 (10)	C2E^vii—C2E—C2D^xxxvii	113 (5)
C2D^vi—C2B—C2C^xxxiii	51 (5)	C2E^vii—C2E—C2D^xxxvi	142 (6)
C2D^vi—C2B—C2C^xxxiv	111 (10)	C2E^viii—C2E—C2D^xxxvii	142 (6)
C2D^vi—C2B—C2C^xxxvi	93 (6)	C2E^vii—C2E—C2E^viii	60.00 (2)

Symmetry codes: (i) y−1/4, −x, z+3/4; (ii) −x, y−1/4, z+3/4; (iii) −x+1/4, −y+1/4, z; (iv) −z+1/4, −y+1/4, x; (v) x−1/2, y−1/2, z; (vi) −x+3/4, −y+3/4, z; (vii) y, z, x; (viii) z, x, y; (ix) −y+1, x−1/4, z−1/4; (x) y−1/4, −x+1, z−1/4; (xi) −y+1/4, x, −z+1/4; (xii) y, −x+1/4, −z+1/4; (xiii) y, −z+3/4, −x−1/4; (xiv) −y, x+1/4, z−3/4; (xv) −y+1/2, x−1/4, z−3/4; (xvi) z, −y+1/4, −x+1/4; (xvii) x, y−1/2, z−1/2; (xviii) x+1/2, y+1/2, z; (xix) z, x+1/2, y+1/2; (xx) −x+1/2, −y+1/2, −z+1; (xxi) z+3/4, y+1/4, −x+1/2; (xxii) −x+1/2, y+1/4, z+3/4; (xxiii) y+1/4, −x+1/2, z+3/4; (xxiv) −y+3/4, x+1/2, −z+1/4; (xxv) x+1/2, −y+3/4, −z+1/4; (xxvi) −z+1/4, −y+3/4, x+1/2; (xxvii) x+1/4, y+1/4, −z+1; (xxviii) z, −y+3/4, −x+3/4; (xxix) −z+1, y+1/4, x+1/4; (xxx) x+1/4, −z+1, y+1/4; (xxxi) −x+3/4, z, −y+3/4; (xxxii) y, −x+3/4, −z+3/4; (xxxiii) −y+3/4, x, −z+3/4; (xxxiv) −z+3/4, −y+3/4, x; (xxxv) −x+3/4, −z+3/4, y; (xxxvi) y, −z+3/4, −x+3/4; (xxxvii) −z+3/4, x, −y+3/4.

(250k_mcl) top

Crystal data top

0.02(C₁₆O₂₇₂Si₁₃₆)·0.02(C_30.01)	F(000) = 4301
M_r = 143.59	D_x = 1.953 Mg m⁻³
Monoclinic, A2/n	Mo Kα radiation, λ = 0.71073 Å
a = 23.7844 (3) Å	Cell parameters from 56079 reflections
b = 13.732 (5) Å	θ = 3–67°
c = 23.784 (3) Å	µ = 0.70 mm⁻¹
β = 109.47°	T = 250 K
V = 7324 (3) Å³	Platelet
Z = 60

Data collection top

StoeStadiVari diffractometer	θ_max = 30.0°, θ_min = 0.9°
84218 measured reflections	h = −28→33
15703 independent reflections	k = −19→19
4876 reflections with I > 2σ(I)	l = −33→20
R_int = 0.162

Refinement top

Refinement on F²	210 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.101	w = 1/[σ²(F_o²) + (0.1P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.280	(Δ/σ)_max = 1.361
S = 1.14	Δρ_max = 2.47 e Å⁻³
15703 reflections	Δρ_min = −1.49 e Å⁻³

Special details top

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1A	0.00878 (9)	1.0001 (3)	0.14169 (9)	0.01632 (15)*
Si1B	0.18544 (17)	0.2030 (2)	0.25537 (16)	0.01632 (15)*
Si1C	0.18527 (17)	0.7942 (2)	0.25551 (16)	0.01632 (15)*
Si1D	0.99876 (17)	0.3103 (3)	0.43474 (15)	0.01632 (15)*
Si1E	0.99879 (17)	0.6914 (3)	0.43429 (15)	0.01632 (15)*
Si1F	0.18554 (16)	0.8883 (2)	0.56783 (16)	0.01632 (15)*
Si1G	0.18654 (16)	0.1178 (2)	0.56604 (16)	0.01632 (15)*
Si1H	0.18312 (16)	0.3122 (2)	0.37107 (15)	0.01632 (15)*
Si1I	0.18374 (16)	0.6883 (2)	0.37416 (15)	0.01632 (15)*
Si1J	0.12749 (9)	−0.0013 (3)	0.25416 (9)	0.01632 (15)*
Si1K	0.11248 (17)	0.8141 (2)	0.43745 (15)	0.01632 (15)*
Si1L	0.11221 (17)	0.1881 (3)	0.43619 (15)	0.01632 (15)*
Si2A	0.89143 (9)	−0.0009 (3)	0.17475 (9)	0.01386 (19)*
Si2B	0.10798 (16)	0.6818 (2)	0.14155 (15)	0.01386 (19)*
Si2C	0.89228 (16)	0.1833 (2)	0.35745 (15)	0.01386 (19)*
Si2D	0.07468 (8)	0.0002 (3)	0.35793 (8)	0.01386 (19)*
Si3	0.93808 (8)	0.9993 (3)	0.31158 (9)	0.0145 (3)*
O1A	0.2500	0.2107 (12)	0.2500	0.0427 (5)*
O1B	0.2500	0.7869 (12)	0.2500	0.0427 (5)*
O1C	0.0058 (5)	0.9069 (8)	0.1016 (5)	0.0427 (5)*
O1D	0.2515 (6)	0.8407 (9)	0.5869 (5)	0.0427 (5)*
O1E	1.0001 (7)	0.3356 (6)	0.5002 (7)	0.0427 (5)*
O1F	0.3524 (6)	0.6549 (8)	0.4981 (5)	0.0427 (5)*
O1G	0.1479 (6)	0.8431 (8)	0.5040 (5)	0.0427 (5)*
O1H	0.1554 (6)	0.2468 (9)	0.4116 (5)	0.0427 (5)*
O1I	0.1683 (5)	0.9062 (8)	0.2546 (5)	0.0427 (5)*
O1J	0.1558 (6)	0.7549 (8)	0.4119 (5)	0.0427 (5)*
O1K	0.0076 (5)	0.0955 (8)	0.1038 (5)	0.0427 (5)*
O1L	0.2507 (6)	0.1617 (9)	0.5835 (5)	0.0427 (5)*
O1M	0.1689 (5)	1.0912 (8)	0.2561 (5)	0.0427 (5)*
O2A	0.1387 (6)	0.7365 (9)	0.2025 (6)	0.0504 (6)*
O2B	0.8623 (6)	0.2475 (9)	0.3008 (6)	0.0504 (6)*
O2C	0.8561 (6)	0.9071 (9)	0.1424 (6)	0.0504 (6)*
O2D	0.0601 (6)	0.7477 (9)	0.0956 (6)	0.0504 (6)*
O2E	0.9409 (6)	0.2427 (9)	0.4062 (6)	0.0504 (6)*
O2F	0.0851 (5)	0.0975 (9)	0.3945 (5)	0.0504 (6)*
O2G	0.8448 (6)	0.1450 (9)	0.3848 (6)	0.0504 (6)*
O2H	0.1119 (4)	0.9975 (11)	0.3142 (4)	0.0504 (6)*
O2I	0.0903 (5)	0.9107 (9)	0.4014 (5)	0.0504 (6)*
O2J	0.1563 (6)	0.6534 (9)	0.1135 (6)	0.0504 (6)*
O2K	0.8556 (6)	0.0920 (9)	0.1454 (6)	0.0504 (6)*
O2L	0.9546 (4)	0.0007 (11)	0.1661 (4)	0.0504 (6)*
O3A	0.0693 (3)	−0.0011 (10)	0.1967 (3)	0.0405 (7)*
O3B	0.1896 (3)	0.0005 (10)	0.5645 (4)	0.0405 (7)*
O3C	0.9421 (6)	0.2452 (8)	0.0628 (5)	0.0405 (7)*
O3D	0.0571 (6)	0.7474 (8)	0.4374 (5)	0.0405 (7)*
O3E	0.1852 (6)	0.7450 (8)	0.3157 (5)	0.0405 (7)*
O3F	0.1855 (6)	0.2548 (8)	0.3153 (5)	0.0405 (7)*
O4A	0.0067 (4)	−0.0019 (11)	0.3183 (4)	0.0505 (11)*
O4B	0.9319 (5)	0.1012 (8)	0.3415 (5)	0.0505 (11)*
O4C	0.8993 (4)	0.9889 (9)	0.2431 (4)	0.0505 (11)*
O4D	0.9230 (5)	0.9172 (8)	0.3496 (5)	0.0505 (11)*
C1A	0.0000	0.2500	0.2500	0.070 (9)*
C1B	0.0000	0.2500	0.7500	0.074 (10)*
C1C	0.7500	−0.003 (3)	0.2500	0.075 (6)*
C1D	0.0000	0.0000	0.5000	0.062 (5)*
C2B	0.302 (2)	0.916 (4)	0.400 (2)	0.050*	0.34 (4)
C2C	0.846 (2)	0.041 (4)	0.002 (2)	0.050*	0.34 (4)
C2D	0.2799 (19)	0.072 (3)	0.4197 (19)	0.050*	0.39 (4)
C2E	0.1774 (18)	0.046 (3)	0.1037 (17)	0.050*	0.43 (4)
C2F	0.125 (3)	0.960 (5)	0.094 (3)	0.050*	0.26 (4)
C2G	0.222 (4)	0.623 (5)	0.532 (4)	0.050*	0.21 (4)
C2H	0.249 (2)	0.026 (3)	0.427 (2)	0.050*	0.35 (4)
C2I	0.298 (2)	0.017 (4)	0.474 (2)	0.050*	0.32 (4)
C2J	0.2829 (15)	0.929 (3)	0.4504 (16)	0.050*	0.47 (4)
C2K	0.864 (3)	0.526 (4)	0.450 (3)	0.050*	0.28 (4)
C2L	0.8660 (19)	0.478 (3)	0.477 (2)	0.050*	0.36 (4)

Geometric parameters (Å, º) top

Si1A—O1C	1.583 (12)	O2F—C1A	3.957 (13)
Si1A—O1Kⁱ	1.584 (12)	O2F—C1D	3.946 (11)
Si1A—O2Lⁱⁱ	1.580 (9)	O2G—Si1F^xii	1.595 (11)
Si1A—O3Aⁱ	1.591 (8)	O2G—C1C	3.83 (3)
Si1A—C1Aⁱ	4.337 (4)	O2G—C1D^vii	4.285 (14)
Si1A—C1Bⁱⁱⁱ	4.340 (4)	O2H—Si1Jⁱ	1.590 (9)
Si1B—O1A	1.586 (4)	O2H—Si2Dⁱ	1.575 (9)
Si1B—O1M^iv	1.587 (12)	O2H—C1Aⁱ	4.328 (14)
Si1B—O2B^v	1.589 (14)	O2H—C1Bⁱⁱⁱ	4.272 (14)
Si1B—O3F	1.592 (11)	O2I—Si2Dⁱ	1.569 (13)
Si1B—C1A	4.417 (4)	O2I—O3D	2.614 (17)
Si1B—C1C^v	4.42 (4)	O2I—C1Bⁱⁱⁱ	4.159 (12)
Si1C—O1B	1.591 (4)	O2I—C1Dⁱ	3.868 (11)
Si1C—O1I	1.589 (12)	O2J—Si1Gⁱⁱⁱ	1.603 (11)
Si1C—O2A	1.585 (14)	O2J—C1C^v	3.86 (3)
Si1C—O3E	1.584 (11)	O2J—C1Dⁱⁱⁱ	4.341 (14)
Si1C—C1Bⁱⁱⁱ	4.407 (4)	O2K—Si1H^v	1.579 (13)
Si1C—C1C^v	4.30 (4)	O2K—C1A^vii	4.123 (14)
Si1D—O1E	1.584 (14)	O2K—C1C	4.286 (17)
Si1D—O1K^v	1.564 (12)	O2L—Si1A^xx	1.580 (9)
Si1D—O2E	1.611 (14)	O2L—C1A^vii	3.929 (14)
Si1D—O3C^vi	1.585 (12)	O2L—C1B^xviii	3.945 (14)
Si1D—C1A^vii	4.481 (3)	O3A—Si1A^iv	1.591 (8)
Si1D—C1D^vii	4.532 (4)	O3A—C1A	4.196 (12)
Si1E—O1C^viii	1.582 (12)	O3A—C1B^xvii	4.171 (12)
Si1E—O1E^ix	1.594 (14)	O3B—Si1F^iv	1.548 (14)
Si1E—O2D^viii	1.582 (14)	O3B—C1C^xv	4.161 (8)
Si1E—C1B^x	4.466 (3)	O3B—C1D	4.251 (8)
Si1E—C1D^xi	4.513 (4)	O3C—Si1D^vi	1.585 (12)
Si1F—O1D	1.619 (13)	O3C—Si1L^v	1.589 (12)
Si1F—O1G	1.608 (13)	O3C—C1A^vii	4.199 (12)
Si1F—O2G^xii	1.596 (11)	O3C—C1D^x	4.212 (11)
Si1F—O3Bⁱ	1.548 (14)	O3D—C1Bⁱⁱⁱ	4.205 (12)
Si1F—C1C^xii	4.381 (16)	O3D—C1Dⁱ	4.176 (11)
Si1F—C1Dⁱ	4.437 (4)	O3E—C1Bⁱⁱⁱ	4.154 (12)
Si1G—O1F^xiii	1.582 (13)	O3E—C1C^v	4.18 (4)
Si1G—O1L	1.562 (13)	O3F—C1A	4.162 (12)
Si1G—O2J^xiv	1.604 (11)	O3F—C1C^v	4.24 (4)
Si1G—O3B	1.613 (14)	O4A—Si3^xxi	1.585 (9)
Si1G—C1C^xv	4.414 (16)	O4A—C1A	3.803 (15)
Si1G—C1D	4.486 (4)	O4A—C1B^xvii	3.755 (15)
Si1H—O1D^xiii	1.592 (13)	O4A—C1D	4.377 (9)
Si1H—O1H	1.610 (12)	O4B—Si3^iv	1.599 (12)
Si1H—O2K^v	1.579 (13)	O4B—C1A^vii	3.726 (10)
Si1H—O3F	1.560 (11)	O4B—C1C	4.387 (18)
Si1H—C1A	4.431 (4)	O4B—C1D^vii	3.833 (11)
Si1H—C1C^v	4.56 (2)	O4C—Si2Aⁱ	1.580 (10)
Si1I—O1J	1.575 (11)	O4C—C1A^xi	4.285 (12)
Si1I—O1L^xvi	1.592 (13)	O4C—C1B^x	4.033 (12)
Si1I—O2C^viii	1.588 (13)	O4C—C1Cⁱ	3.610 (9)
Si1I—O3E	1.604 (11)	O4D—Si2B^viii	1.594 (11)
Si1I—C1Bⁱⁱⁱ	4.465 (4)	O4D—C1B^x	4.139 (10)
Si1I—C1C^v	4.56 (2)	O4D—C1Cⁱ	4.150 (16)
Si1J—O1I^iv	1.597 (12)	O4D—C1D^xi	3.616 (12)
Si1J—O1M^iv	1.598 (12)	C1A—O1K^xxii	4.128 (11)
Si1J—O2H^iv	1.590 (9)	C1A—O2F^xxii	3.957 (13)
Si1J—O3A	1.587 (8)	C1A—O2K^v	4.123 (14)
Si1J—C1A	4.573 (4)	C1A—O2K^xxiii	4.123 (14)
Si1J—C1B^xvii	4.547 (4)	C1A—O2L^xxiii	3.929 (14)
Si1K—O1G	1.576 (13)	C1A—O2L^v	3.929 (14)
Si1K—O1J	1.583 (12)	C1A—O3A^xxii	4.196 (12)
Si1K—O2I	1.573 (13)	C1A—O4A^xxii	3.803 (15)
Si1K—O3D	1.603 (12)	C1A—O4B^v	3.726 (10)
Si1K—C1Bⁱⁱⁱ	4.456 (4)	C1A—O4B^xxiii	3.726 (10)
Si1K—C1Dⁱ	4.306 (3)	C1B—O1C^xiv	4.176 (11)
Si1L—O1F^xiii	1.575 (13)	C1B—O1C^xxiv	4.176 (11)
Si1L—O1H	1.565 (12)	C1B—O2A^xxiv	3.832 (12)
Si1L—O2F	1.588 (13)	C1B—O2A^xiv	3.832 (12)
Si1L—O3C^v	1.589 (12)	C1B—O2C^xii	4.132 (14)
Si1L—C1A	4.425 (4)	C1B—O2C^xxv	4.132 (14)
Si1L—C1D	4.335 (3)	C1B—O2I^xiv	4.159 (12)
Si2A—O2C^iv	1.570 (14)	C1B—O2I^xxiv	4.159 (12)
Si2A—O2K	1.563 (14)	C1B—O2L^xxvi	3.945 (15)
Si2A—O2L	1.583 (9)	C1B—O2L^xv	3.945 (15)
Si2A—O4C^iv	1.579 (10)	C1B—O4A^xxvii	3.755 (15)
Si2A—C1A^vii	4.320 (4)	C1B—O4A^xxviii	3.755 (15)
Si2A—C1B^xviii	4.300 (4)	C1B—O4C^xii	4.033 (12)
Si2A—C1C	4.3050 (18)	C1B—O4D^xii	4.139 (10)
Si2B—O2A	1.578 (13)	C1B—O4D^xxv	4.139 (10)
Si2B—O2D	1.574 (14)	C1C—O1A^v	4.02 (5)
Si2B—O2J	1.558 (12)	C1C—O1B^v	3.89 (5)
Si2B—O4D^viii	1.594 (11)	C1C—O2A^xxix	4.07 (4)
Si2B—C1Bⁱⁱⁱ	4.306 (3)	C1C—O2A^v	4.07 (4)
Si2B—C1C^v	4.27 (2)	C1C—O2G^xxx	3.83 (3)
Si2B—C1Dⁱⁱⁱ	4.290 (4)	C1C—O3B^xv	4.161 (8)
Si2C—O2B	1.569 (13)	C1C—O3B^xxxi	4.161 (8)
Si2C—O2E	1.566 (14)	C1C—O3E^v	4.18 (4)
Si2C—O2G	1.569 (12)	C1C—O3E^xxix	4.18 (4)
Si2C—O4B	1.593 (11)	C1C—O3F^v	4.24 (4)
Si2C—C1A^vii	4.278 (3)	C1C—O3F^xxix	4.24 (4)
Si2C—C1C	4.33 (3)	C1C—O4C^xxxii	3.610 (9)
Si2C—C1D^vii	4.313 (4)	C1C—O4C^iv	3.610 (9)
Si2D—O2F	1.568 (13)	C1D—O1F^xxxiii	4.093 (12)
Si2D—O2H^iv	1.575 (9)	C1D—O1G^iv	4.100 (12)
Si2D—O2I^iv	1.569 (13)	C1D—O1G^xxiv	4.100 (12)
Si2D—O4A	1.578 (10)	C1D—O2D^xxii	4.077 (13)
Si2D—C1A	4.298 (4)	C1D—O2D^xiv	4.077 (13)
Si2D—C1B^xvii	4.302 (4)	C1D—O2F^xxviii	3.946 (11)
Si2D—C1D	4.3097 (18)	C1D—O2I^iv	3.868 (11)
Si3—O4A^xi	1.585 (9)	C1D—O2I^xxiv	3.868 (11)
Si3—O4Bⁱ	1.599 (12)	C1D—O3D^xxiv	4.176 (11)
Si3—O4C	1.588 (10)	C1D—O3D^iv	4.176 (11)
Si3—O4D	1.560 (11)	C1D—O4B^xv	3.833 (11)
Si3—C1A^xi	4.196 (4)	C1D—O4B^xxiii	3.833 (11)
Si3—C1B^x	4.180 (4)	C1D—O4D^xxi	3.616 (12)
Si3—C1Cⁱ	4.218 (2)	C1D—O4D^xii	3.616 (12)
Si3—C1D^xi	4.225 (2)	C2B—C2F^xix	1.80 (8)
O1A—Si1B^xix	1.586 (4)	C2B—C2Hⁱ	2.20 (6)
O1A—C1C^v	4.02 (5)	C2B—C2Iⁱ	2.26 (7)
O1B—Si1C^xix	1.591 (4)	C2B—C2J	1.42 (5)
O1B—C1C^v	3.89 (5)	C2C—C2K^xvii	1.44 (7)
O1C—Si1E^viii	1.582 (12)	C2C—C2L^xvii	1.22 (6)
O1C—C1Bⁱⁱⁱ	4.176 (11)	C2D—C2E^xix	1.36 (5)
O1D—Si1H^xvi	1.592 (13)	C2D—C2G^xiii	1.36 (8)
O1D—C1C^xii	4.49 (2)	C2D—C2H	1.03 (6)
O1E—Si1E^ix	1.594 (14)	C2D—C2I	1.43 (6)
O1F—Si1G^xvi	1.582 (13)	C2D—C2J^iv	2.09 (5)
O1F—Si1L^xvi	1.575 (13)	C2E—C2D^xix	1.36 (5)
O1F—C1D^xvi	4.093 (12)	C2E—C2F^iv	1.67 (7)
O1G—C1Dⁱ	4.100 (12)	C2E—C2K^v	1.66 (7)
O1H—C1A	4.354 (13)	C2F—C2B^xix	1.80 (8)
O1I—Si1Jⁱ	1.597 (12)	C2F—C2Eⁱ	1.67 (7)
O1I—C1Bⁱⁱⁱ	4.511 (11)	C2F—C2K^viii	1.19 (8)
O1J—C1Bⁱⁱⁱ	4.365 (13)	C2G—C2D^xvi	1.36 (8)
O1K—Si1A^iv	1.584 (12)	C2G—C2H^xvi	1.66 (9)
O1K—Si1D^v	1.564 (12)	C2G—C2I^xvi	1.52 (9)
O1K—C1A	4.128 (11)	C2H—C2B^iv	2.20 (6)
O1L—Si1I^xiii	1.592 (13)	C2H—C2G^xiii	1.66 (9)
O1L—C1C^xv	4.52 (2)	C2H—C2I	1.33 (7)
O1M—Si1Bⁱ	1.587 (12)	C2H—C2J^iv	1.56 (6)
O1M—Si1Jⁱ	1.598 (12)	C2I—C2B^iv	2.26 (7)
O1M—C1Aⁱ	4.531 (11)	C2I—C2G^xiii	1.52 (9)
O2A—C1Bⁱⁱⁱ	3.832 (12)	C2I—C2J^iv	1.33 (6)
O2A—C1C^v	4.07 (4)	C2I—C2K^xxxiii	1.92 (7)
O2B—Si1B^v	1.589 (14)	C2J—C2Dⁱ	2.09 (5)
O2C—Si1I^viii	1.588 (13)	C2J—C2Hⁱ	1.56 (6)
O2C—Si2Aⁱ	1.570 (14)	C2J—C2Iⁱ	1.33 (6)
O2C—C1B^x	4.132 (14)	C2K—C2C^xxvii	1.44 (7)
O2C—C1Cⁱ	4.329 (16)	C2K—C2E^v	1.66 (7)
O2D—Si1E^viii	1.582 (14)	C2K—C2F^viii	1.19 (8)
O2D—C1Bⁱⁱⁱ	4.362 (11)	C2K—C2I^xxix	1.92 (7)
O2D—C1Dⁱⁱⁱ	4.077 (13)	C2K—C2L	0.91 (6)
O2E—C1A^vii	4.391 (11)	C2L—C2C^xxvii	1.22 (6)
O2E—C1D^vii	3.996 (13)

O1C—Si1A—C1Aⁱ	174.7 (4)	O1K—C1A—O3A	36.0 (2)
O1C—Si1A—C1Bⁱⁱⁱ	73.5 (4)	O1K^xxii—C1A—O3A^xxii	36.0 (2)
O1Kⁱ—Si1A—O1C	109.7 (4)	O1K—C1A—O3A^xxii	144.0 (2)
O1Kⁱ—Si1A—O3Aⁱ	108.5 (7)	O1K^xxii—C1A—O3A	144.0 (2)
O1Kⁱ—Si1A—C1Aⁱ	71.8 (4)	O1K—C1A—O3F	89.1 (2)
O1Kⁱ—Si1A—C1Bⁱⁱⁱ	175.1 (4)	O1K^xxii—C1A—O3F	90.9 (2)
O2Lⁱⁱ—Si1A—O1C	110.3 (7)	O2F—C1A—O2F^xxii	180.0
O2Lⁱⁱ—Si1A—O1Kⁱ	110.0 (7)	O2F—C1A—O2K^xxiii	109.1 (3)
O2Lⁱⁱ—Si1A—O3Aⁱ	108.9 (4)	O2F^xxii—C1A—O2K^v	109.1 (3)
O2Lⁱⁱ—Si1A—C1Aⁱ	64.6 (5)	O2F—C1A—O2K^v	70.9 (3)
O2Lⁱⁱ—Si1A—C1Bⁱⁱⁱ	65.1 (5)	O2F^xxii—C1A—O2K^xxiii	70.9 (3)
O3Aⁱ—Si1A—O1C	109.5 (7)	O2F—C1A—O3A	71.8 (2)
O3Aⁱ—Si1A—C1Aⁱ	74.3 (5)	O2F—C1A—O3A^xxii	108.2 (2)
O3Aⁱ—Si1A—C1Bⁱⁱⁱ	73.3 (5)	O2F^xxii—C1A—O3A^xxii	71.8 (2)
C1Aⁱ—Si1A—C1Bⁱⁱⁱ	104.61 (5)	O2F^xxii—C1A—O3A	108.2 (2)
O1A—Si1B—O1M^iv	108.4 (8)	O2F—C1A—O3F	60.8 (2)
O1A—Si1B—O2B^v	110.1 (5)	O2F^xxii—C1A—O3F	119.2 (2)
O1A—Si1B—C1A	166.4 (6)	O2K^v—C1A—O2K^xxiii	180.0
O1A—Si1B—C1C^v	65.2 (6)	O2K^v—C1A—O3A^xxii	73.6 (2)
O1M^iv—Si1B—O2B^v	108.2 (7)	O2K^v—C1A—O3A	106.4 (2)
O1M^iv—Si1B—C1A	83.9 (4)	O2K^xxiii—C1A—O3A^xxii	106.4 (2)
O1M^iv—Si1B—C1C^v	173.6 (5)	O2K^xxiii—C1A—O3A	73.6 (2)
O2B^v—Si1B—C1A	59.1 (4)	O2K^v—C1A—O3F	36.9 (2)
O2B^v—Si1B—C1C^v	74.6 (5)	O2K^xxiii—C1A—O3F	143.1 (2)
O3F—Si1B—O1A	109.2 (6)	O2L^xxiii—C1A—O1K	37.4 (2)
O3F—Si1B—O1M^iv	110.4 (6)	O2L^v—C1A—O1K^xxii	37.4 (2)
O3F—Si1B—O2B^v	110.4 (6)	O2L^xxiii—C1A—O1K^xxii	142.6 (2)
O3F—Si1B—C1A	70.4 (5)	O2L^v—C1A—O1K	142.6 (2)
O3F—Si1B—C1C^v	73.3 (4)	O2L^xxiii—C1A—O2F^xxii	92.6 (3)
C1C^v—Si1B—C1A	102.5 (2)	O2L^xxiii—C1A—O2F	87.4 (3)
O1B—Si1C—O2A	109.9 (6)	O2L^v—C1A—O2F^xxii	87.4 (3)
O1B—Si1C—C1Bⁱⁱⁱ	167.0 (6)	O2L^v—C1A—O2F	92.6 (3)
O1B—Si1C—C1C^v	64.7 (6)	O2L^v—C1A—O2K^v	37.1 (2)
O1I—Si1C—O1B	107.9 (8)	O2L^xxiii—C1A—O2K^xxiii	37.1 (2)
O1I—Si1C—O2A	111.5 (7)	O2L^xxiii—C1A—O2K^v	142.9 (2)
O1I—Si1C—C1Bⁱⁱⁱ	83.5 (4)	O2L^v—C1A—O2K^xxiii	142.9 (2)
O1I—Si1C—C1C^v	172.4 (5)	O2L^v—C1A—O2L^xxiii	180.0 (2)
O2A—Si1C—C1Bⁱⁱⁱ	58.8 (4)	O2L^xxiii—C1A—O3A	36.84 (18)
O2A—Si1C—C1C^v	70.9 (5)	O2L^v—C1A—O3A	143.16 (18)
O3E—Si1C—O1B	109.9 (6)	O2L^v—C1A—O3A^xxii	36.84 (18)
O3E—Si1C—O1I	110.3 (6)	O2L^xxiii—C1A—O3A^xxii	143.16 (18)
O3E—Si1C—O2A	107.2 (6)	O2L^v—C1A—O3F	73.7 (2)
O3E—Si1C—C1Bⁱⁱⁱ	70.4 (5)	O2L^xxiii—C1A—O3F	106.3 (2)
O3E—Si1C—C1C^v	74.9 (4)	O2L^xxiii—C1A—O4B^v	106.3 (2)
C1C^v—Si1C—C1Bⁱⁱⁱ	103.7 (2)	O2L^v—C1A—O4B^xxiii	106.3 (2)
O1E—Si1D—O2E	105.9 (7)	O2L^xxiii—C1A—O4B^xxiii	73.7 (2)
O1E—Si1D—O3C^vi	110.0 (7)	O2L^v—C1A—O4B^v	73.7 (2)
O1E—Si1D—C1A^vii	177.5 (5)	O3A—C1A—O3A^xxii	180.0
O1E—Si1D—C1D^vii	82.8 (3)	O3A—C1A—O3F	69.58 (19)
O1K^v—Si1D—O1E	111.2 (6)	O3A^xxii—C1A—O3F	110.42 (19)
O1K^v—Si1D—O2E	109.2 (7)	O4A—C1A—O1K	83.4 (2)
O1K^v—Si1D—O3C^vi	109.3 (6)	O4A^xxii—C1A—O1K^xxii	83.4 (2)
O1K^v—Si1D—C1A^vii	67.0 (4)	O4A—C1A—O1K^xxii	96.6 (2)
O1K^v—Si1D—C1D^vii	165.3 (5)	O4A^xxii—C1A—O1K	96.6 (2)
O2E—Si1D—O3C^vi	111.2 (6)	O4A—C1A—O2F	37.9 (2)
O2E—Si1D—C1A^vii	76.4 (4)	O4A^xxii—C1A—O2F	142.1 (2)
O2E—Si1D—C1D^vii	60.6 (5)	O4A—C1A—O2F^xxii	142.1 (2)
O3C^vi—Si1D—C1A^vii	69.6 (4)	O4A^xxii—C1A—O2F^xxii	37.9 (2)
O3C^vi—Si1D—C1D^vii	68.3 (4)	O4A^xxii—C1A—O2K^xxiii	108.3 (2)
C1A^vii—Si1D—C1D^vii	99.24 (7)	O4A—C1A—O2K^xxiii	71.7 (2)
O1C^viii—Si1E—O1E^ix	107.7 (6)	O4A^xxii—C1A—O2K^v	71.7 (2)
O1C^viii—Si1E—C1B^x	69.3 (4)	O4A—C1A—O2K^v	108.3 (2)
O1C^viii—Si1E—C1D^xi	168.4 (5)	O4A^xxii—C1A—O2L^xxiii	127.6 (2)
O1E^ix—Si1E—C1B^x	176.7 (4)	O4A—C1A—O2L^xxiii	52.4 (2)
O1E^ix—Si1E—C1D^xi	83.3 (3)	O4A—C1A—O2L^v	127.6 (2)
O2D^viii—Si1E—O1C^viii	108.5 (7)	O4A^xxii—C1A—O2L^v	52.4 (2)
O2D^viii—Si1E—O1E^ix	106.6 (7)	O4A^xxii—C1A—O3A	125.7 (2)
O2D^viii—Si1E—C1B^x	76.0 (4)	O4A^xxii—C1A—O3A^xxii	54.3 (2)
O2D^viii—Si1E—C1D^xi	64.1 (5)	O4A—C1A—O3A	54.3 (2)
C1B^x—Si1E—C1D^xi	99.76 (7)	O4A—C1A—O3A^xxii	125.7 (2)
O1D—Si1F—O2G^xii	108.1 (7)	O4A—C1A—O3F	88.1 (2)
O1D—Si1F—O3Bⁱ	110.3 (6)	O4A^xxii—C1A—O3F	91.9 (2)
O1D—Si1F—C1C^xii	83.2 (5)	O4A—C1A—O4A^xxii	180.0
O1D—Si1F—C1Dⁱ	174.4 (5)	O4A^xxii—C1A—O4B^xxiii	141.6 (2)
O1G—Si1F—O1D	106.9 (6)	O4A^xxii—C1A—O4B^v	38.4 (2)
O1G—Si1F—O2G^xii	108.5 (6)	O4A—C1A—O4B^xxiii	38.4 (2)
O1G—Si1F—O3Bⁱ	111.1 (6)	O4A—C1A—O4B^v	141.6 (2)
O1G—Si1F—C1C^xii	167.0 (4)	O4B^xxiii—C1A—O1K^xxii	68.9 (2)
O1G—Si1F—C1Dⁱ	67.5 (4)	O4B^xxiii—C1A—O1K	111.1 (2)
O2G^xii—Si1F—C1C^xii	59.7 (6)	O4B^v—C1A—O1K	68.9 (2)
O2G^xii—Si1F—C1Dⁱ	74.1 (5)	O4B^v—C1A—O1K^xxii	111.1 (2)
O3Bⁱ—Si1F—O2G^xii	111.9 (5)	O4B^xxiii—C1A—O2F	53.0 (2)
O3Bⁱ—Si1F—C1C^xii	71.6 (6)	O4B^xxiii—C1A—O2F^xxii	127.0 (2)
O3Bⁱ—Si1F—C1Dⁱ	73.0 (3)	O4B^v—C1A—O2F	127.0 (2)
C1C^xii—Si1F—C1Dⁱ	102.3 (2)	O4B^v—C1A—O2F^xxii	53.0 (2)
O1F^xiii—Si1G—O2J^xiv	109.0 (6)	O4B^xxiii—C1A—O2K^xxiii	68.1 (2)
O1F^xiii—Si1G—C1C^xv	165.3 (4)	O4B^xxiii—C1A—O2K^v	111.9 (2)
O1F^xiii—Si1G—C1D	65.5 (4)	O4B^v—C1A—O2K^xxiii	111.9 (2)
O1L—Si1G—O1F^xiii	109.7 (6)	O4B^v—C1A—O2K^v	68.1 (2)
O1L—Si1G—O2J^xiv	108.9 (7)	O4B^v—C1A—O3A	89.0 (2)
O1L—Si1G—O3B	110.1 (6)	O4B^xxiii—C1A—O3A^xxii	89.0 (2)
O1L—Si1G—C1C^xv	83.9 (5)	O4B^v—C1A—O3A^xxii	91.0 (2)
O1L—Si1G—C1D	175.1 (5)	O4B^xxiii—C1A—O3A	91.0 (2)
O2J^xiv—Si1G—C1C^xv	59.7 (6)	O4B^v—C1A—O3F	66.2 (2)
O2J^xiv—Si1G—C1D	74.5 (5)	O4B^xxiii—C1A—O3F	113.8 (2)
O3B—Si1G—O1F^xiii	108.4 (6)	O4B^v—C1A—O4B^xxiii	180.0 (3)
O3B—Si1G—O2J^xiv	110.7 (5)	O1C^xxiv—C1B—O1C^xiv	180.0
O3B—Si1G—C1C^xv	70.4 (6)	O1C^xxiv—C1B—O2C^xii	57.4 (2)
O3B—Si1G—C1D	71.2 (3)	O1C^xiv—C1B—O2C^xxv	57.4 (2)
C1C^xv—Si1G—C1D	101.0 (3)	O1C^xxiv—C1B—O2C^xxv	122.6 (2)
O1D^xiii—Si1H—C1A	176.8 (5)	O1C^xiv—C1B—O2C^xii	122.6 (2)
O1D^xiii—Si1H—C1C^v	77.4 (4)	O1C^xiv—C1B—O4C^xii	105.5 (2)
O1H—Si1H—O1D^xiii	105.7 (6)	O1C^xxiv—C1B—O4C^xii	74.5 (2)
O1H—Si1H—O3F	111.4 (6)	O2A^xxiv—C1B—O1C^xxiv	60.1 (2)
O1H—Si1H—C1A	76.8 (5)	O2A^xxiv—C1B—O1C^xiv	119.9 (2)
O1H—Si1H—C1C^v	176.5 (5)	O2A^xiv—C1B—O1C^xiv	60.1 (2)
O2K^v—Si1H—O1D^xiii	108.5 (7)	O2A^xiv—C1B—O1C^xxiv	119.9 (2)
O2K^v—Si1H—O1H	107.0 (6)	O2A^xxiv—C1B—O2A^xiv	180.0
O2K^v—Si1H—O3F	113.2 (7)	O2A^xiv—C1B—O2C^xii	62.7 (2)
O2K^v—Si1H—C1A	68.5 (5)	O2A^xxiv—C1B—O2C^xxv	62.7 (2)
O2K^v—Si1H—C1C^v	70.1 (6)	O2A^xiv—C1B—O2C^xxv	117.3 (2)
O3F—Si1H—O1D^xiii	110.7 (6)	O2A^xxiv—C1B—O2C^xii	117.3 (2)
O3F—Si1H—C1A	69.9 (5)	O2A^xiv—C1B—O2I^xxiv	88.0 (2)
O3F—Si1H—C1C^v	68.6 (6)	O2A^xxiv—C1B—O2I^xiv	88.0 (2)
C1A—Si1H—C1C^v	100.08 (9)	O2A^xxiv—C1B—O2I^xxiv	92.0 (2)
O1J—Si1I—O1L^xvi	106.5 (7)	O2A^xiv—C1B—O2I^xiv	92.0 (2)
O1J—Si1I—O3E	110.3 (6)	O2A^xxiv—C1B—O2L^xxvi	89.4 (2)
O1J—Si1I—C1Bⁱⁱⁱ	76.2 (5)	O2A^xiv—C1B—O2L^xxvi	90.6 (2)
O1J—Si1I—C1C^v	174.7 (5)	O2A^xiv—C1B—O2L^xv	89.4 (2)
O1L^xvi—Si1I—C1Bⁱⁱⁱ	177.2 (5)	O2A^xxiv—C1B—O2L^xv	90.6 (2)
O1L^xvi—Si1I—C1C^v	78.7 (4)	O2A^xiv—C1B—O4C^xii	54.2 (2)
O2C^viii—Si1I—O1J	106.8 (6)	O2A^xxiv—C1B—O4C^xii	125.8 (2)
O2C^viii—Si1I—O1L^xvi	110.2 (7)	O2A^xxiv—C1B—O4D^xii	141.7 (2)
O2C^viii—Si1I—O3E	111.7 (7)	O2A^xiv—C1B—O4D^xxv	141.7 (2)
O2C^viii—Si1I—C1Bⁱⁱⁱ	67.7 (5)	O2A^xiv—C1B—O4D^xii	38.3 (2)
O2C^viii—Si1I—C1C^v	71.7 (6)	O2A^xxiv—C1B—O4D^xxv	38.3 (2)
O3E—Si1I—O1L^xvi	111.2 (6)	O2C^xii—C1B—O2C^xxv	180.0
O3E—Si1I—C1Bⁱⁱⁱ	68.5 (5)	O2C^xii—C1B—O4C^xii	36.1 (2)
O3E—Si1I—C1C^v	66.2 (6)	O2C^xxv—C1B—O4C^xii	143.9 (2)
C1Bⁱⁱⁱ—Si1I—C1C^v	98.67 (9)	O2I^xiv—C1B—O1C^xxiv	72.2 (2)
O1I^iv—Si1J—C1A	176.2 (4)	O2I^xxiv—C1B—O1C^xiv	72.2 (2)
O1I^iv—Si1J—C1B^xvii	78.6 (4)	O2I^xiv—C1B—O1C^xiv	107.8 (2)
O1M^iv—Si1J—O1I^iv	105.3 (4)	O2I^xxiv—C1B—O1C^xxiv	107.8 (2)
O1M^iv—Si1J—O2H^iv	108.0 (7)	O2I^xxiv—C1B—O2C^xxv	70.0 (3)
O1M^iv—Si1J—C1A	78.4 (4)	O2I^xiv—C1B—O2C^xxv	110.0 (3)
O1M^iv—Si1J—C1B^xvii	176.1 (4)	O2I^xxiv—C1B—O2C^xii	110.0 (3)
O2H^iv—Si1J—O1I^iv	108.0 (7)	O2I^xiv—C1B—O2C^xii	70.0 (3)
O2H^iv—Si1J—C1A	71.1 (5)	O2I^xxiv—C1B—O2I^xiv	180.0
O2H^iv—Si1J—C1B^xvii	70.0 (5)	O2I^xxiv—C1B—O4C^xii	74.4 (2)
O3A—Si1J—O1I^iv	111.2 (7)	O2I^xiv—C1B—O4C^xii	105.6 (2)
O3A—Si1J—O1M^iv	112.1 (7)	O2L^xv—C1B—O1C^xxiv	37.1 (2)
O3A—Si1J—O2H^iv	112.0 (4)	O2L^xxvi—C1B—O1C^xiv	37.1 (2)
O3A—Si1J—C1A	66.3 (5)	O2L^xxvi—C1B—O1C^xxiv	142.9 (2)
O3A—Si1J—C1B^xvii	66.3 (5)	O2L^xv—C1B—O1C^xiv	142.9 (2)
C1A—Si1J—C1B^xvii	97.68 (4)	O2L^xv—C1B—O2C^xii	36.9 (2)
O1G—Si1K—C1Bⁱⁱⁱ	175.0 (5)	O2L^xxvi—C1B—O2C^xii	143.1 (2)
O1G—Si1K—C1Dⁱ	71.9 (4)	O2L^xxvi—C1B—O2C^xxv	36.9 (2)
O1J—Si1K—O1G	108.4 (7)	O2L^xv—C1B—O2C^xxv	143.1 (2)
O1J—Si1K—C1Bⁱⁱⁱ	76.4 (5)	O2L^xxvi—C1B—O2I^xxiv	92.8 (2)
O1J—Si1K—C1Dⁱ	174.4 (4)	O2L^xv—C1B—O2I^xxiv	87.2 (2)
O2I—Si1K—O1G	107.6 (7)	O2L^xxvi—C1B—O2I^xiv	87.2 (2)
O2I—Si1K—O1J	111.6 (6)	O2L^xv—C1B—O2I^xiv	92.8 (2)
O2I—Si1K—C1Bⁱⁱⁱ	69.0 (5)	O2L^xv—C1B—O2L^xxvi	180.0
O2I—Si1K—C1Dⁱ	63.5 (4)	O2L^xxvi—C1B—O4C^xii	142.10 (19)
O3D—Si1K—O1G	108.0 (6)	O2L^xv—C1B—O4C^xii	37.90 (19)
O3D—Si1K—O1J	110.3 (6)	O4A^xxvii—C1B—O1C^xiv	83.6 (2)
O3D—Si1K—O2I	110.8 (6)	O4A^xxviii—C1B—O1C^xxiv	83.6 (2)
O3D—Si1K—C1Bⁱⁱⁱ	70.6 (4)	O4A^xxviii—C1B—O1C^xiv	96.4 (2)
O3D—Si1K—C1Dⁱ	74.6 (4)	O4A^xxvii—C1B—O1C^xxiv	96.4 (2)
C1Dⁱ—Si1K—C1Bⁱⁱⁱ	103.17 (8)	O4A^xxvii—C1B—O2A^xxiv	75.2 (2)
O1F^xiii—Si1L—O1H	108.7 (7)	O4A^xxvii—C1B—O2A^xiv	104.8 (2)
O1F^xiii—Si1L—O2F	111.4 (7)	O4A^xxviii—C1B—O2A^xxiv	104.8 (2)
O1F^xiii—Si1L—O3C^v	108.7 (6)	O4A^xxviii—C1B—O2A^xiv	75.2 (2)
O1F^xiii—Si1L—C1A	173.3 (5)	O4A^xxvii—C1B—O2C^xii	107.4 (2)
O1F^xiii—Si1L—C1D	70.7 (4)	O4A^xxvii—C1B—O2C^xxv	72.6 (2)
O1H—Si1L—O3C^v	110.2 (6)	O4A^xxviii—C1B—O2C^xii	72.6 (2)
O1H—Si1L—C1A	77.2 (5)	O4A^xxviii—C1B—O2C^xxv	107.4 (2)
O1H—Si1L—C1D	174.5 (5)	O4A^xxviii—C1B—O2I^xxiv	37.7 (2)
O2F—Si1L—O1H	110.5 (6)	O4A^xxvii—C1B—O2I^xxiv	142.3 (2)
O2F—Si1L—O3C^v	107.3 (7)	O4A^xxviii—C1B—O2I^xiv	142.3 (2)
O2F—Si1L—C1A	62.7 (5)	O4A^xxvii—C1B—O2I^xiv	37.7 (2)
O2F—Si1L—C1D	65.3 (4)	O4A^xxviii—C1B—O2L^xxvi	127.4 (2)
O3C^v—Si1L—C1A	71.5 (4)	O4A^xxviii—C1B—O2L^xv	52.6 (2)
O3C^v—Si1L—C1D	75.0 (4)	O4A^xxvii—C1B—O2L^xv	127.4 (2)
C1D—Si1L—C1A	103.21 (8)	O4A^xxvii—C1B—O2L^xxvi	52.6 (2)
O2C^iv—Si2A—O2K	108.4 (5)	O4A^xxviii—C1B—O4A^xxvii	180.0
O2C^iv—Si2A—O2L	108.8 (7)	O4A^xxvii—C1B—O4C^xii	141.4 (2)
O2C^iv—Si2A—O4C^iv	107.1 (6)	O4A^xxviii—C1B—O4C^xii	38.6 (2)
O2C^iv—Si2A—C1A^vii	173.5 (4)	O4A^xxvii—C1B—O4D^xii	142.0 (2)
O2C^iv—Si2A—C1B^xviii	73.3 (5)	O4A^xxvii—C1B—O4D^xxv	38.0 (2)
O2C^iv—Si2A—C1C	80.4 (6)	O4A^xxviii—C1B—O4D^xxv	142.0 (2)
O2K—Si2A—O4C^iv	113.0 (6)	O4A^xxviii—C1B—O4D^xii	38.0 (2)
O2K—Si2A—C1A^vii	72.3 (5)	O4D^xii—C1B—O1C^xxiv	110.1 (2)
O2K—Si2A—C1B^xviii	175.8 (4)	O4D^xxv—C1B—O1C^xxiv	69.9 (2)
O2K—Si2A—C1C	78.8 (6)	O4D^xii—C1B—O1C^xiv	69.9 (2)
O2L—Si2A—O2K	109.3 (7)	O4D^xxv—C1B—O1C^xiv	110.1 (2)
O2L—Si2A—O4C^iv	110.1 (5)	O4D^xii—C1B—O2C^xii	68.4 (2)
O2L—Si2A—C1A^vii	65.2 (5)	O4D^xii—C1B—O2C^xxv	111.6 (2)
O2L—Si2A—C1B^xviii	66.5 (5)	O4D^xxv—C1B—O2C^xii	111.6 (2)
O2L—Si2A—C1C	164.0 (4)	O4D^xxv—C1B—O2C^xxv	68.4 (2)
O4C^iv—Si2A—C1A^vii	78.2 (4)	O4D^xxv—C1B—O2I^xxiv	126.2 (2)
O4C^iv—Si2A—C1B^xviii	69.7 (4)	O4D^xxv—C1B—O2I^xiv	53.8 (2)
O4C^iv—Si2A—C1C	54.0 (4)	O4D^xii—C1B—O2I^xiv	126.2 (2)
C1A^vii—Si2A—C1B^xviii	105.60 (5)	O4D^xii—C1B—O2I^xxiv	53.8 (2)
C1A^vii—Si2A—C1C	106.0 (5)	O4D^xii—C1B—O2L^xv	72.9 (2)
C1B^xviii—Si2A—C1C	105.3 (5)	O4D^xxv—C1B—O2L^xxvi	72.9 (2)
O2A—Si2B—O2D	111.8 (7)	O4D^xii—C1B—O2L^xxvi	107.1 (2)
O2A—Si2B—C1Bⁱⁱⁱ	62.2 (4)	O4D^xxv—C1B—O2L^xv	107.1 (2)
O2A—Si2B—C1C^v	71.8 (6)	O4D^xxv—C1B—O4C^xii	143.0 (2)
O2A—Si2B—C1Dⁱⁱⁱ	166.0 (4)	O4D^xii—C1B—O4C^xii	37.0 (2)
O2D—Si2B—C1Bⁱⁱⁱ	81.6 (4)	O4D^xii—C1B—O4D^xxv	180.0 (2)
O2D—Si2B—C1C^v	172.6 (4)	O1A^v—C1C—O1B^v	180.0
O2D—Si2B—C1Dⁱⁱⁱ	71.6 (5)	O1A^v—C1C—O2A^v	141.9 (4)
O2J—Si2B—O2A	109.3 (7)	O1A^v—C1C—O2A^xxix	141.9 (4)
O2J—Si2B—O2D	108.2 (7)	O1A^v—C1C—O3B^xxxi	89.4 (6)
O2J—Si2B—O4D^viii	106.3 (6)	O1A^v—C1C—O3B^xv	89.4 (6)
O2J—Si2B—C1Bⁱⁱⁱ	169.4 (5)	O1A^v—C1C—O3E^v	142.6 (4)
O2J—Si2B—C1C^v	64.4 (5)	O1A^v—C1C—O3E^xxix	142.6 (4)
O2J—Si2B—C1Dⁱⁱⁱ	81.5 (5)	O1A^v—C1C—O3F^xxix	36.4 (4)
O4D^viii—Si2B—O2A	112.2 (6)	O1A^v—C1C—O3F^v	36.4 (4)
O4D^viii—Si2B—O2D	108.9 (7)	O1A^v—C1C—O4B	70.9 (5)
O4D^viii—Si2B—C1Bⁱⁱⁱ	73.3 (4)	O1B^v—C1C—O2A^xxix	38.1 (4)
O4D^viii—Si2B—C1C^v	74.8 (6)	O1B^v—C1C—O2A^v	38.1 (4)
O4D^viii—Si2B—C1Dⁱⁱⁱ	54.9 (4)	O1B^v—C1C—O3B^xv	90.6 (6)
C1C^v—Si2B—C1Bⁱⁱⁱ	105.80 (8)	O1B^v—C1C—O3B^xxxi	90.6 (6)
C1Dⁱⁱⁱ—Si2B—C1Bⁱⁱⁱ	106.02 (7)	O1B^v—C1C—O3E^xxix	37.4 (4)
C1Dⁱⁱⁱ—Si2B—C1C^v	106.6 (5)	O1B^v—C1C—O3E^v	37.4 (4)
O2B—Si2C—C1A^vii	63.7 (5)	O1B^v—C1C—O3F^v	143.6 (4)
O2B—Si2C—C1C	77.5 (6)	O1B^v—C1C—O3F^xxix	143.6 (4)
O2B—Si2C—C1D^vii	169.7 (5)	O1B^v—C1C—O4B	109.1 (5)
O2E—Si2C—O2B	110.8 (7)	O2A^xxix—C1C—O2A^v	76.2 (8)
O2E—Si2C—O2G	108.8 (7)	O2A^v—C1C—O3B^xxxi	105.4 (6)
O2E—Si2C—C1A^vii	83.7 (4)	O2A^xxix—C1C—O3B^xv	105.4 (6)
O2E—Si2C—C1C	169.4 (5)	O2A^v—C1C—O3B^xv	75.5 (4)
O2E—Si2C—C1D^vii	67.9 (5)	O2A^xxix—C1C—O3B^xxxi	75.5 (4)
O2G—Si2C—O2B	111.1 (7)	O2A^v—C1C—O4B	71.2 (3)
O2G—Si2C—C1A^vii	167.4 (5)	O2A^xxix—C1C—O4B	147.0 (9)
O2G—Si2C—C1C	61.2 (5)	O2G^xxx—C1C—O1A^v	57.9 (6)
O2G—Si2C—C1D^vii	78.5 (5)	O2G—C1C—O1A^v	57.9 (6)
O4B—Si2C—O2B	109.2 (6)	O2G^xxx—C1C—O1B^v	122.1 (6)
O4B—Si2C—O2E	101.3 (7)	O2G—C1C—O1B^v	122.1 (6)
O4B—Si2C—O2G	115.2 (6)	O2G^xxx—C1C—O2A^xxix	92.2 (3)
O4B—Si2C—C1A^vii	59.3 (4)	O2G—C1C—O2A^v	92.2 (3)
O4B—Si2C—C1C	81.3 (6)	O2G—C1C—O2A^xxix	143.0 (5)
O4B—Si2C—C1D^vii	62.0 (4)	O2G^xxx—C1C—O2A^v	143.0 (5)
C1A^vii—Si2C—C1C	106.25 (7)	O2G—C1C—O2G^xxx	115.7 (11)
C1A^vii—Si2C—C1D^vii	106.11 (7)	O2G^xxx—C1C—O3B^xv	141.3 (10)
C1C—Si2C—C1D^vii	105.1 (4)	O2G^xxx—C1C—O3B^xxxi	37.7 (3)
O2F—Si2D—O2I^iv	110.0 (5)	O2G—C1C—O3B^xv	37.7 (3)
O2F—Si2D—O4A	106.8 (7)	O2G—C1C—O3B^xxxi	141.3 (10)
O2F—Si2D—C1A	67.0 (5)	O2G^xxx—C1C—O3E^v	107.3 (3)
O2F—Si2D—C1B^xvii	165.6 (4)	O2G—C1C—O3E^xxix	107.3 (3)
O2F—Si2D—C1D	66.2 (4)	O2G—C1C—O3E^v	123.2 (4)
O2H^iv—Si2D—O2F	111.5 (7)	O2G^xxx—C1C—O3E^xxix	123.2 (4)
O2H^iv—Si2D—O2I^iv	110.8 (7)	O2G—C1C—O3F^v	72.2 (6)
O2H^iv—Si2D—O4A	107.2 (5)	O2G^xxx—C1C—O3F^v	56.6 (5)
O2H^iv—Si2D—C1A	80.6 (5)	O2G^xxx—C1C—O3F^xxix	72.2 (6)
O2H^iv—Si2D—C1B^xvii	78.3 (5)	O2G—C1C—O3F^xxix	56.6 (5)
O2H^iv—Si2D—C1D	170.8 (4)	O2G^xxx—C1C—O4B	116.7 (9)
O2I^iv—Si2D—O4A	110.4 (7)	O2G—C1C—O4B	37.1 (3)
O2I^iv—Si2D—C1A	168.1 (4)	O3B^xxxi—C1C—O3B^xv	178.9 (12)
O2I^iv—Si2D—C1B^xvii	74.2 (5)	O3B^xxxi—C1C—O4B	117.3 (4)
O2I^iv—Si2D—C1D	63.3 (4)	O3B^xv—C1C—O4B	62.3 (2)
O4A—Si2D—C1A	61.4 (5)	O3E^v—C1C—O2A^v	36.0 (4)
O4A—Si2D—C1B^xvii	59.4 (5)	O3E^xxix—C1C—O2A^v	63.8 (6)
O4A—Si2D—C1D	81.9 (3)	O3E^xxix—C1C—O2A^xxix	36.0 (4)
C1B^xvii—Si2D—C1A	105.95 (5)	O3E^v—C1C—O2A^xxix	63.8 (6)
C1D—Si2D—C1A	105.82 (7)	O3E^v—C1C—O3B^xxxi	69.6 (4)
C1D—Si2D—C1B^xvii	105.73 (7)	O3E^xxix—C1C—O3B^xv	69.6 (4)
O4A^xi—Si3—O4Bⁱ	102.0 (7)	O3E^xxix—C1C—O3B^xxxi	111.4 (7)
O4A^xi—Si3—C1A^xi	64.8 (5)	O3E^v—C1C—O3B^xv	111.4 (7)
O4A^xi—Si3—C1B^x	63.6 (5)	O3E^xxix—C1C—O3E^v	74.8 (8)
O4A^xi—Si3—C1Cⁱ	166.3 (4)	O3E^xxix—C1C—O4B	120.1 (5)
O4A^xi—Si3—C1D^xi	84.8 (3)	O3E^v—C1C—O4B	91.1 (3)
O4Bⁱ—Si3—C1A^xi	62.1 (4)	O3F^v—C1C—O2A^xxix	144.4 (2)
O4Bⁱ—Si3—C1B^x	165.5 (4)	O3F^xxix—C1C—O2A^xxix	117.0 (2)
O4Bⁱ—Si3—C1Cⁱ	85.3 (7)	O3F^v—C1C—O2A^v	117.0 (2)
O4Bⁱ—Si3—C1D^xi	65.0 (4)	O3F^xxix—C1C—O2A^v	144.4 (2)
O4C—Si3—O4A^xi	109.2 (5)	O3F^xxix—C1C—O3B^xxxi	109.9 (7)
O4C—Si3—O4Bⁱ	115.3 (6)	O3F^v—C1C—O3B^xv	109.9 (7)
O4C—Si3—O4D	111.2 (6)	O3F^xxix—C1C—O3B^xv	69.1 (4)
O4C—Si3—C1A^xi	82.4 (4)	O3F^v—C1C—O3B^xxxi	69.1 (4)
O4C—Si3—C1B^x	73.7 (4)	O3F^v—C1C—O3E^v	106.18 (15)
O4C—Si3—C1Cⁱ	57.1 (3)	O3F^xxix—C1C—O3E^v	179.0 (7)
O4C—Si3—C1D^xi	165.0 (4)	O3F^v—C1C—O3E^xxix	179.0 (7)
O4D—Si3—O4A^xi	111.2 (7)	O3F^xxix—C1C—O3E^xxix	106.18 (15)
O4D—Si3—O4Bⁱ	107.5 (6)	O3F^xxix—C1C—O3F^v	72.9 (7)
O4D—Si3—C1A^xi	166.1 (5)	O3F^v—C1C—O4B	60.1 (4)
O4D—Si3—C1B^x	77.7 (4)	O3F^xxix—C1C—O4B	88.4 (7)
O4D—Si3—C1Cⁱ	76.8 (6)	O4C^xxxii—C1C—O1A^v	91.7 (7)
O4D—Si3—C1D^xi	56.9 (4)	O4C^iv—C1C—O1A^v	91.7 (7)
C1A^xi—Si3—C1Cⁱ	110.0 (5)	O4C^xxxii—C1C—O1B^v	88.3 (7)
C1A^xi—Si3—C1D^xi	109.24 (8)	O4C^iv—C1C—O1B^v	88.3 (7)
C1B^x—Si3—C1A^xi	110.12 (4)	O4C^xxxii—C1C—O2A^v	121.6 (10)
C1B^x—Si3—C1Cⁱ	109.1 (5)	O4C^iv—C1C—O2A^v	55.3 (4)
C1B^x—Si3—C1D^xi	109.54 (8)	O4C^xxxii—C1C—O2A^xxix	55.3 (4)
C1Cⁱ—Si3—C1D^xi	108.83 (4)	O4C^iv—C1C—O2A^xxix	121.6 (10)
Si1B—O1A—Si1B^xix	172.3 (12)	O4C^xxxii—C1C—O2G^xxx	74.9 (4)
Si1B—O1A—C1C^v	93.8 (6)	O4C^xxxii—C1C—O2G	106.9 (5)
Si1B^xix—O1A—C1C^v	93.8 (6)	O4C^iv—C1C—O2G	74.9 (4)
Si1C^xix—O1B—Si1C	172.8 (12)	O4C^iv—C1C—O2G^xxx	106.9 (5)
Si1C—O1B—C1C^v	93.6 (6)	O4C^iv—C1C—O3B^xxxi	87.10 (19)
Si1C^xix—O1B—C1C^v	93.6 (6)	O4C^xxxii—C1C—O3B^xv	87.10 (19)
Si1A—O1C—C1Bⁱⁱⁱ	85.2 (4)	O4C^xxxii—C1C—O3B^xxxi	92.93 (19)
Si1E^viii—O1C—Si1A	175.0 (8)	O4C^iv—C1C—O3B^xv	92.93 (19)
Si1E^viii—O1C—C1Bⁱⁱⁱ	90.0 (5)	O4C^iv—C1C—O3E^v	57.9 (4)
Si1F—O1D—Si1H^xvi	158.1 (8)	O4C^xxxii—C1C—O3E^v	119.0 (9)
Si1F—O1D—C1C^xii	75.8 (4)	O4C^iv—C1C—O3E^xxix	119.0 (9)
Si1H^xvi—O1D—C1C^xii	82.3 (5)	O4C^xxxii—C1C—O3E^xxix	57.9 (4)
Si1D—O1E—Si1E^ix	153.9 (6)	O4C^xxxii—C1C—O3F^xxix	61.7 (4)
Si1G^xvi—O1F—C1D^xvi	93.9 (4)	O4C^xxxii—C1C—O3F^v	121.4 (9)
Si1L^xvi—O1F—Si1G^xvi	175.8 (8)	O4C^iv—C1C—O3F^xxix	121.4 (9)
Si1L^xvi—O1F—C1D^xvi	88.1 (5)	O4C^iv—C1C—O3F^v	61.7 (4)
Si1F—O1G—Si1K	171.4 (8)	O4C^iv—C1C—O4B	37.8 (3)
Si1F—O1G—C1Dⁱ	91.3 (4)	O4C^xxxii—C1C—O4B	144.0 (6)
Si1K—O1G—C1Dⁱ	86.7 (5)	O4C^xxxii—C1C—O4C^iv	176.7 (14)
Si1H—O1H—C1A	82.1 (5)	O1G^xxiv—C1D—O1F^xxxiii	63.02 (16)
Si1L—O1H—Si1H	164.2 (10)	O1G^iv—C1D—O1F^xxxiii	116.98 (16)
Si1L—O1H—C1A	82.3 (5)	O1G^xxiv—C1D—O1G^iv	180.0 (3)
Si1C—O1I—Si1Jⁱ	157.1 (8)	O2D^xiv—C1D—O1F^xxxiii	125.5 (2)
Si1C—O1I—C1Bⁱⁱⁱ	76.0 (4)	O2D^xxii—C1D—O1F^xxxiii	54.5 (2)
Si1Jⁱ—O1I—C1Bⁱⁱⁱ	81.1 (4)	O2D^xxii—C1D—O1G^iv	73.3 (3)
Si1I—O1J—C1Bⁱⁱⁱ	83.3 (5)	O2D^xiv—C1D—O1G^xxiv	73.3 (3)
Si1K—O1J—Si1I	165.6 (10)	O2D^xxii—C1D—O1G^xxiv	106.7 (3)
Si1K—O1J—C1Bⁱⁱⁱ	82.9 (5)	O2D^xiv—C1D—O1G^iv	106.7 (3)
Si1A^iv—O1K—C1A	86.8 (4)	O2D^xxii—C1D—O2D^xiv	180.0
Si1D^v—O1K—Si1A^iv	175.8 (8)	O2F—C1D—O1F^xxxiii	142.1 (2)
Si1D^v—O1K—C1A	92.6 (5)	O2F^xxviii—C1D—O1F^xxxiii	37.9 (2)
Si1G—O1L—Si1I^xiii	157.1 (8)	O2F^xxviii—C1D—O1G^xxiv	64.8 (2)
Si1G—O1L—C1C^xv	76.1 (4)	O2F^xxviii—C1D—O1G^iv	115.2 (2)
Si1I^xiii—O1L—C1C^xv	81.1 (5)	O2F—C1D—O1G^iv	64.8 (2)
Si1Bⁱ—O1M—C1Aⁱ	75.8 (4)	O2F—C1D—O1G^xxiv	115.2 (2)
Si1Jⁱ—O1M—Si1Bⁱ	157.1 (8)	O2F—C1D—O2D^xiv	85.0 (2)
Si1Jⁱ—O1M—C1Aⁱ	81.4 (4)	O2F^xxviii—C1D—O2D^xiv	95.0 (2)
Si1C—O2A—C1Bⁱⁱⁱ	100.5 (5)	O2F^xxviii—C1D—O2D^xxii	85.0 (2)
Si1C—O2A—C1C^v	87.4 (6)	O2F—C1D—O2D^xxii	95.0 (2)
Si2B—O2A—Si1C	162.8 (9)	O2F—C1D—O2F^xxviii	180.0
Si2B—O2A—C1Bⁱⁱⁱ	96.5 (5)	O2F—C1D—O2I^xxiv	141.6 (2)
Si2B—O2A—C1C^v	86.6 (5)	O2F—C1D—O2I^iv	38.4 (2)
C1Bⁱⁱⁱ—O2A—C1C^v	120.1 (4)	O2F^xxviii—C1D—O2I^iv	141.6 (2)
Si1B^v—O2B—Si2C	162.8 (9)	O2F^xxviii—C1D—O2I^xxiv	38.4 (2)
Si1I^viii—O2C—Si2Aⁱ	164.4 (8)	O2I^iv—C1D—O1F^xxxiii	118.4 (2)
Si1I^viii—O2C—C1B^x	91.5 (5)	O2I^xxiv—C1D—O1F^xxxiii	61.6 (2)
Si1I^viii—O2C—C1Cⁱ	87.9 (6)	O2I^xxiv—C1D—O1G^xxiv	37.1 (2)
Si2Aⁱ—O2C—C1B^x	85.4 (5)	O2I^iv—C1D—O1G^iv	37.1 (2)
Si2Aⁱ—O2C—C1Cⁱ	78.7 (6)	O2I^xxiv—C1D—O1G^iv	142.9 (2)
C1B^x—O2C—C1Cⁱ	107.9 (4)	O2I^iv—C1D—O1G^xxiv	142.9 (2)
Si1E^viii—O2D—Si2B	160.5 (8)	O2I^iv—C1D—O2D^xxii	63.9 (2)
Si1E^viii—O2D—C1Bⁱⁱⁱ	83.4 (4)	O2I^iv—C1D—O2D^xiv	116.1 (2)
Si1E^viii—O2D—C1Dⁱⁱⁱ	95.5 (6)	O2I^xxiv—C1D—O2D^xxii	116.1 (2)
Si2B—O2D—C1Bⁱⁱⁱ	77.5 (4)	O2I^xxiv—C1D—O2D^xiv	63.9 (2)
Si2B—O2D—C1Dⁱⁱⁱ	86.9 (5)	O2I^xxiv—C1D—O2I^iv	180.0 (2)
C1Dⁱⁱⁱ—O2D—C1Bⁱⁱⁱ	108.9 (3)	O3D^xxiv—C1D—O1F^xxxiii	93.2 (2)
Si1D—O2E—C1A^vii	82.7 (4)	O3D^iv—C1D—O1F^xxxiii	86.8 (2)
Si1D—O2E—C1D^vii	98.8 (6)	O3D^xxiv—C1D—O1G^xxiv	36.2 (2)
Si2C—O2E—Si1D	158.1 (8)	O3D^iv—C1D—O1G^xxiv	143.8 (2)
Si2C—O2E—C1A^vii	75.5 (4)	O3D^iv—C1D—O1G^iv	36.2 (2)
Si2C—O2E—C1D^vii	90.8 (5)	O3D^xxiv—C1D—O1G^iv	143.8 (3)
C1D^vii—O2E—C1A^vii	109.8 (3)	O3D^xxiv—C1D—O2D^xxii	142.8 (3)
Si1L—O2F—Si2D	166.0 (9)	O3D^iv—C1D—O2D^xxii	37.2 (3)
Si1L—O2F—C1A	96.4 (5)	O3D^xxiv—C1D—O2D^xiv	37.2 (3)
Si1L—O2F—C1D	93.2 (4)	O3D^iv—C1D—O2D^xiv	142.8 (3)
Si2D—O2F—C1A	91.6 (5)	O3D^xxiv—C1D—O2F	104.0 (2)
Si2D—O2F—C1D	92.5 (5)	O3D^iv—C1D—O2F	76.0 (2)
C1D—O2F—C1A	120.6 (3)	O3D^xxiv—C1D—O2F^xxviii	76.0 (2)
Si1F^xii—O2G—Si2C	161.1 (10)	O3D^iv—C1D—O2F^xxviii	104.0 (2)
Si1F^xii—O2G—C1C	99.2 (6)	O3D^xxiv—C1D—O2I^iv	142.3 (2)
Si1F^xii—O2G—C1D^vii	84.9 (5)	O3D^xxiv—C1D—O2I^xxiv	37.7 (2)
Si2C—O2G—C1C	97.8 (5)	O3D^iv—C1D—O2I^xxiv	142.3 (2)
Si2C—O2G—C1D^vii	80.5 (5)	O3D^iv—C1D—O2I^iv	37.7 (2)
C1C—O2G—C1D^vii	115.4 (6)	O3D^xxiv—C1D—O3D^iv	180.0
Si1Jⁱ—O2H—C1Aⁱ	88.6 (5)	O3D^xxiv—C1D—O4B^xv	91.8 (2)
Si1Jⁱ—O2H—C1Bⁱⁱⁱ	89.5 (5)	O3D^iv—C1D—O4B^xv	88.2 (2)
Si2Dⁱ—O2H—Si1Jⁱ	160.6 (7)	O3D^xxiv—C1D—O4B^xxiii	88.2 (2)
Si2Dⁱ—O2H—C1Aⁱ	78.4 (5)	O3D^iv—C1D—O4B^xxiii	91.8 (2)
Si2Dⁱ—O2H—C1Bⁱⁱⁱ	80.5 (5)	O3D^iv—C1D—O4D^xxi	60.3 (2)
C1Bⁱⁱⁱ—O2H—C1Aⁱ	105.9 (2)	O3D^iv—C1D—O4D^xii	119.7 (2)
Si1K—O2I—Si2Dⁱ	169.4 (8)	O3D^xxiv—C1D—O4D^xii	60.3 (2)
Si1K—O2I—C1Bⁱⁱⁱ	90.4 (5)	O3D^xxiv—C1D—O4D^xxi	119.7 (2)
Si1K—O2I—C1Dⁱ	95.2 (4)	O4B^xxiii—C1D—O1F^xxxiii	95.6 (2)
Si2Dⁱ—O2I—C1Bⁱⁱⁱ	84.5 (5)	O4B^xv—C1D—O1F^xxxiii	84.4 (2)
Si2Dⁱ—O2I—C1Dⁱ	95.4 (5)	O4B^xxiii—C1D—O1G^iv	106.9 (2)
O3D—O2I—Si1K	35.0 (4)	O4B^xv—C1D—O1G^iv	73.1 (2)
O3D—O2I—Si2Dⁱ	149.0 (8)	O4B^xxiii—C1D—O1G^xxiv	73.1 (2)
O3D—O2I—C1Bⁱⁱⁱ	72.8 (4)	O4B^xv—C1D—O1G^xxiv	106.9 (2)
O3D—O2I—C1Dⁱ	77.5 (3)	O4B^xv—C1D—O2D^xiv	78.4 (3)
C1Dⁱ—O2I—C1Bⁱⁱⁱ	117.5 (3)	O4B^xxiii—C1D—O2D^xxii	78.4 (3)
Si1Gⁱⁱⁱ—O2J—C1C^v	99.2 (6)	O4B^xxiii—C1D—O2D^xiv	101.6 (3)
Si1Gⁱⁱⁱ—O2J—C1Dⁱⁱⁱ	84.7 (5)	O4B^xv—C1D—O2D^xxii	101.6 (3)
Si2B—O2J—Si1Gⁱⁱⁱ	161.0 (10)	O4B^xv—C1D—O2F^xxviii	52.4 (2)
Si2B—O2J—C1C^v	94.3 (5)	O4B^xxiii—C1D—O2F^xxviii	127.6 (2)
Si2B—O2J—C1Dⁱⁱⁱ	77.7 (5)	O4B^xxiii—C1D—O2F	52.4 (2)
C1Dⁱⁱⁱ—O2J—C1C^v	113.5 (6)	O4B^xv—C1D—O2F	127.6 (2)
Si1H^v—O2K—Si2A	167.7 (8)	O4B^xv—C1D—O2I^iv	110.1 (3)
Si1H^v—O2K—C1A^vii	90.6 (5)	O4B^xxiii—C1D—O2I^iv	69.9 (3)
Si1H^v—O2K—C1C	89.6 (6)	O4B^xv—C1D—O2I^xxiv	69.9 (3)
Si2A—O2K—C1A^vii	86.5 (5)	O4B^xxiii—C1D—O2I^xxiv	110.1 (3)
Si2A—O2K—C1C	80.2 (6)	O4B^xv—C1D—O4B^xxiii	180.00 (19)
C1A^vii—O2K—C1C	110.0 (4)	O4D^xii—C1D—O1F^xxxiii	108.9 (2)
Si1A^xx—O2L—C1A^vii	94.1 (6)	O4D^xxi—C1D—O1F^xxxiii	71.1 (2)
Si1A^xx—O2L—C1B^xviii	93.6 (6)	O4D^xii—C1D—O1G^xxiv	90.3 (2)
Si2A—O2L—Si1A^xx	166.8 (7)	O4D^xxi—C1D—O1G^xxiv	89.7 (2)
Si2A—O2L—C1A^vii	93.3 (6)	O4D^xxi—C1D—O1G^iv	90.3 (2)
Si2A—O2L—C1B^xviii	91.9 (6)	O4D^xii—C1D—O1G^iv	89.7 (2)
C1B^xviii—O2L—C1A^vii	121.4 (2)	O4D^xii—C1D—O2D^xxii	141.4 (3)
Si1A^iv—O3A—C1A	84.3 (5)	O4D^xii—C1D—O2D^xiv	38.6 (3)
Si1A^iv—O3A—C1B^xvii	85.3 (5)	O4D^xxi—C1D—O2D^xiv	141.4 (3)
Si1J—O3A—Si1A^iv	176.6 (6)	O4D^xxi—C1D—O2D^xxii	38.6 (3)
Si1J—O3A—C1A	93.4 (5)	O4D^xii—C1D—O2F^xxviii	71.1 (3)
Si1J—O3A—C1B^xvii	93.3 (5)	O4D^xxi—C1D—O2F^xxviii	108.9 (3)
C1A—O3A—C1B^xvii	110.29 (16)	O4D^xxi—C1D—O2F	71.1 (3)
Si1F^iv—O3B—Si1G	171.5 (5)	O4D^xii—C1D—O2F	108.9 (3)
Si1F^iv—O3B—C1C^xv	87.7 (7)	O4D^xii—C1D—O2I^xxiv	60.1 (2)
Si1F^iv—O3B—C1D	86.6 (4)	O4D^xxi—C1D—O2I^iv	60.1 (2)
Si1G—O3B—C1C^xv	88.2 (7)	O4D^xii—C1D—O2I^iv	119.9 (2)
Si1G—O3B—C1D	87.7 (4)	O4D^xxi—C1D—O2I^xxiv	119.9 (2)
C1C^xv—O3B—C1D	109.42 (16)	O4D^xii—C1D—O4B^xv	39.9 (2)
Si1D^vi—O3C—C1A^vii	89.7 (5)	O4D^xxi—C1D—O4B^xv	140.1 (2)
Si1D^vi—O3C—C1D^x	91.2 (4)	O4D^xii—C1D—O4B^xxiii	140.1 (2)
Si1L^v—O3C—Si1D^vi	173.0 (9)	O4D^xxi—C1D—O4B^xxiii	39.9 (2)
Si1L^v—O3C—C1A^vii	87.5 (4)	O4D^xii—C1D—O4D^xxi	180.0
Si1L^v—O3C—C1D^x	83.7 (4)	C2F^xix—C2B—C2Hⁱ	113 (3)
C1A^vii—O3C—C1D^x	109.4 (3)	C2F^xix—C2B—C2Iⁱ	91 (3)
Si1K—O3D—O2I	34.2 (4)	C2Hⁱ—C2B—C2Iⁱ	34.8 (19)
Si1K—O3D—C1Bⁱⁱⁱ	88.3 (4)	C2J—C2B—C2F^xix	118 (4)
Si1K—O3D—C1Dⁱ	83.7 (4)	C2J—C2B—C2Hⁱ	45 (2)
O2I—O3D—C1Bⁱⁱⁱ	70.8 (4)	C2J—C2B—C2Iⁱ	33 (2)
O2I—O3D—C1Dⁱ	64.8 (3)	C2L^xvii—C2C—C2K^xvii	39 (3)
C1Dⁱ—O3D—C1Bⁱⁱⁱ	110.0 (3)	C2G^xiii—C2D—C2E^xix	137 (5)
Si1C—O3E—Si1I	176.0 (8)	C2G^xiii—C2D—C2I	66 (4)
Si1C—O3E—C1Bⁱⁱⁱ	88.5 (5)	C2G^xiii—C2D—C2J^iv	101 (4)
Si1C—O3E—C1C^v	83.6 (5)	C2H—C2D—C2E^xix	126 (5)
Si1I—O3E—C1Bⁱⁱⁱ	90.5 (5)	C2H—C2D—C2G^xiii	86 (5)
Si1I—O3E—C1C^v	93.2 (5)	C2H—C2D—C2I	63 (4)
C1Bⁱⁱⁱ—O3E—C1C^v	110.5 (3)	C2H—C2D—C2J^iv	46 (3)
Si1B—O3F—Si1H	175.7 (9)	C2I—C2D—C2E^xix	101 (4)
Si1B—O3F—C1A	88.5 (5)	C2I—C2D—C2J^iv	39 (2)
Si1B—O3F—C1C^v	85.7 (5)	C2J^iv—C2D—C2E^xix	87 (3)
Si1H—O3F—C1A	89.5 (5)	C2D^xix—C2E—C2F^iv	139 (4)
Si1H—O3F—C1C^v	91.4 (5)	C2K^v—C2E—C2D^xix	100 (4)
C1C^v—O3F—C1A	110.1 (3)	C2K^v—C2E—C2F^iv	42 (3)
Si2D—O4A—C1A	97.3 (6)	C2B^xix—C2F—C2Eⁱ	65 (3)
Si2D—O4A—C1B^xvii	99.3 (6)	C2K^viii—C2F—C2B^xix	68 (4)
Si2D—O4A—C1D	77.1 (3)	C2K^viii—C2F—C2Eⁱ	68 (4)
Si3^xxi—O4A—Si2D	151.1 (6)	C2D^xvi—C2G—C2H^xvi	38 (3)
Si3^xxi—O4A—C1A	93.0 (6)	C2D^xvi—C2G—C2I^xvi	59 (4)
Si3^xxi—O4A—C1B^xvii	94.2 (6)	C2H^xvi—C2G—C2I^xvi	49 (3)
Si3^xxi—O4A—C1D	74.0 (3)	C2D—C2H—C2B^iv	82 (4)
C1A—O4A—C1B^xvii	130.6 (3)	C2D—C2H—C2G^xiii	55 (4)
C1A—O4A—C1D	114.0 (3)	C2D—C2H—C2I	73 (4)
C1B^xvii—O4A—C1D	115.0 (3)	C2D—C2H—C2J^iv	105 (4)
Si2C—O4B—Si3^iv	150.9 (8)	C2G^xiii—C2H—C2B^iv	124 (4)
Si2C—O4B—C1A^vii	99.1 (5)	C2I—C2H—C2B^iv	75 (3)
Si2C—O4B—C1C	77.6 (6)	C2I—C2H—C2G^xiii	60 (4)
Si2C—O4B—C1D^vii	96.4 (5)	C2J^iv—C2H—C2B^iv	40 (2)
Si3^iv—O4B—C1A^vii	95.6 (4)	C2J^iv—C2H—C2G^xiii	114 (4)
Si3^iv—O4B—C1C	73.4 (6)	C2J^iv—C2H—C2I	54 (3)
Si3^iv—O4B—C1D^vii	92.8 (5)	C2B^iv—C2I—C2K^xxxiii	48 (2)
C1A^vii—O4B—C1C	116.0 (4)	C2D—C2I—C2B^iv	73 (3)
C1D^vii—O4B—C1A^vii	130.5 (3)	C2D—C2I—C2G^xiii	55 (4)
C1D^vii—O4B—C1C	113.1 (4)	C2D—C2I—C2K^xxxiii	86 (3)
Si2Aⁱ—O4C—C1A^xi	80.7 (4)	C2G^xiii—C2I—C2B^iv	128 (4)
Si2Aⁱ—O4C—C1B^x	88.8 (4)	C2G^xiii—C2I—C2K^xxxiii	123 (4)
Si2Aⁱ—O4C—C1Cⁱ	105.3 (4)	C2H—C2I—C2B^iv	70 (3)
Si3—O4C—Si2Aⁱ	151.2 (7)	C2H—C2I—C2D	44 (3)
Si3—O4C—C1A^xi	76.1 (4)	C2H—C2I—C2G^xiii	71 (4)
Si3—O4C—C1B^x	84.1 (4)	C2H—C2I—C2K^xxxiii	111 (4)
Si3—O4C—C1Cⁱ	101.2 (4)	C2J^iv—C2I—C2B^iv	36 (2)
C1B^x—O4C—C1A^xi	111.2 (2)	C2J^iv—C2I—C2D	98 (4)
C1Cⁱ—O4C—C1A^xi	121.3 (7)	C2J^iv—C2I—C2G^xiii	142 (5)
C1Cⁱ—O4C—C1B^x	127.0 (8)	C2J^iv—C2I—C2H	72 (3)
Si2B^viii—O4D—Si3	154.0 (8)	C2J^iv—C2I—C2K^xxxiii	74 (3)
Si2B^viii—O4D—C1B^x	85.1 (4)	C2B—C2J—C2Dⁱ	79 (3)
Si2B^viii—O4D—C1Cⁱ	83.5 (7)	C2B—C2J—C2Hⁱ	95 (3)
Si2B^viii—O4D—C1D^xi	104.0 (5)	C2B—C2J—C2Iⁱ	111 (4)
Si3—O4D—C1B^x	80.7 (4)	C2Hⁱ—C2J—C2Dⁱ	28 (2)
Si3—O4D—C1Cⁱ	81.7 (6)	C2Hⁱ—C2J—C2Iⁱ	54 (3)
Si3—O4D—C1D^xi	102.0 (5)	C2Iⁱ—C2J—C2Dⁱ	43 (3)
C1B^x—O4D—C1Cⁱ	111.3 (4)	C2E^v—C2K—C2C^xxvii	118 (4)
C1D^xi—O4D—C1B^x	124.4 (3)	C2E^v—C2K—C2I^xxix	73 (3)
C1D^xi—O4D—C1Cⁱ	124.1 (4)	C2F^viii—C2K—C2C^xxvii	162 (6)
O1K—C1A—O1K^xxii	180.0	C2F^viii—C2K—C2E^v	70 (5)
O1K—C1A—O2F^xxii	72.2 (2)	C2F^viii—C2K—C2I^xxix	139 (6)
O1K^xxii—C1A—O2F	72.2 (2)	C2I^xxix—C2K—C2C^xxvii	45 (3)
O1K—C1A—O2F	107.8 (2)	C2L—C2K—C2C^xxvii	58 (4)
O1K^xxii—C1A—O2F^xxii	107.8 (2)	C2L—C2K—C2E^v	90 (5)
O1K^xxii—C1A—O2K^xxiii	121.1 (2)	C2L—C2K—C2F^viii	140 (7)
O1K—C1A—O2K^xxiii	58.9 (2)	C2L—C2K—C2I^xxix	55 (4)
O1K—C1A—O2K^v	121.1 (2)	C2K—C2L—C2C^xxvii	83 (5)
O1K^xxii—C1A—O2K^v	58.9 (2)

Symmetry codes: (i) x, y+1, z; (ii) x−1, y+1, z; (iii) x, y+1/2, z−1/2; (iv) x, y−1, z; (v) −x+1, −y+1/2, −z+1/2; (vi) −x+2, −y+1/2, −z+1/2; (vii) x+1, y, z; (viii) −x+1, −y+3/2, −z+1/2; (ix) −x+2, −y+1, −z+1; (x) x+1, y+1/2, z−1/2; (xi) x+1, y+1, z; (xii) −x+1, −y+1, −z+1; (xiii) −x+1/2, y−1/2, −z+1; (xiv) x, y−1/2, z+1/2; (xv) −x+1, −y, −z+1; (xvi) −x+1/2, y+1/2, −z+1; (xvii) x, y−1/2, z−1/2; (xviii) x+1, y−1/2, z−1/2; (xix) −x+1/2, y, −z+1/2; (xx) x+1, y−1, z; (xxi) x−1, y−1, z; (xxii) −x, −y+1/2, −z+1/2; (xxiii) x−1, y, z; (xxiv) −x, −y+1, −z+1; (xxv) x−1, y−1/2, z+1/2; (xxvi) x−1, y+1/2, z+1/2; (xxvii) x, y+1/2, z+1/2; (xxviii) −x, −y, −z+1; (xxix) x+1/2, −y+1/2, z; (xxx) −x+3/2, y, −z+1/2; (xxxi) x+1/2, −y, z−1/2; (xxxii) −x+3/2, y−1, −z+1/2; (xxxiii) x−1/2, −y+1/2, z.

(250k_cubic) top

Crystal data top

0.01(C_6.22Na_0.78O₂₇₂Si₁₃₆)·0.45(C)	D_x = 1.953 Mg m⁻³
M_r = 63.35	Mo Kα radiation, λ = 0.71073 Å
Cubic, Fd3m	Cell parameters from 32000 reflections
a = 19.4199 (15) Å	θ = 3–67°
V = 7323.9 (17) Å³	µ = 0.70 mm⁻¹
Z = 136	T = 250 K
F(000) = 4301	Platelet

Data collection top

StoeStadiVari diffractometer	θ_max = 33.3°, θ_min = 3.0°
30685 measured reflections	h = −29→30
722 independent reflections	k = −29→29
688 reflections with I > 2σ(I)	l = −14→29
R_int = 0.211

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + 1932.8269P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.168	(Δ/σ)_max = 0.002
wR(F²) = 0.327	Δρ_max = 1.01 e Å⁻³
S = 1.00	Δρ_min = −4.94 e Å⁻³
722 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
44 parameters	Extinction coefficient: 0.0009 (3)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1	0.06759 (15)	0.06759 (15)	0.36931 (17)	0.0265 (10)
Si2	0.21648 (15)	0.21648 (15)	0.21648 (15)	0.0137 (11)
Si3	0.1250	0.1250	0.1250	0.0146 (19)
O1	0.0000	0.3439 (6)	−0.3439 (6)	0.070 (5)
O2	0.1998 (8)	0.1998 (8)	0.2931 (7)	0.096 (7)
O3	0.3741 (11)	0.1250	0.1250	0.052 (4)
O4	0.1715 (6)	0.1715 (6)	0.1715 (6)	0.106 (13)
Na	0.5000	0.5000	0.5000	0.050*	0.05 (4)
C1	0.0000	0.0000	0.0000	0.052 (11)
C2B	0.400 (4)	0.400 (4)	0.400 (4)	0.050*	0.28 (9)
C2C	0.361 (4)	0.361 (4)	0.298 (6)	0.050*	0.18 (5)
C2D	0.339 (11)	0.339 (11)	0.449 (16)	0.050*	0.06 (4)
C2E	0.324 (3)	0.324 (3)	0.353 (5)	0.050*	0.19 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1	0.0329 (14)	0.0329 (14)	0.0139 (15)	0.0129 (14)	−0.0066 (10)	−0.0066 (10)
Si2	0.0137 (11)	0.0137 (11)	0.0137 (11)	−0.0018 (9)	−0.0018 (9)	−0.0018 (9)
Si3	0.0146 (19)	0.0146 (19)	0.0146 (19)	0.000	0.000	0.000
O1	0.047 (8)	0.081 (7)	0.081 (7)	−0.014 (5)	−0.014 (5)	−0.020 (8)
O2	0.129 (10)	0.129 (10)	0.029 (7)	0.009 (12)	0.034 (6)	0.034 (6)
O3	0.069 (13)	0.044 (6)	0.044 (6)	0.000	0.000	−0.001 (8)
O4	0.106 (13)	0.106 (13)	0.106 (13)	−0.050 (8)	−0.050 (8)	−0.050 (8)
C1	0.052 (11)	0.052 (11)	0.052 (11)	−0.001 (13)	−0.001 (13)	−0.001 (13)

Geometric parameters (Å, º) top

Si1—O1ⁱ	1.579 (3)	C2B—C2C^xxxv	1.29 (10)
Si1—O1ⁱⁱ	1.579 (3)	C2B—C2C^xxxvi	1.29 (10)
Si1—O2ⁱⁱⁱ	1.556 (13)	C2B—C2C^xxxvii	1.29 (10)
Si1—O3^iv	1.579 (4)	C2B—C2D^xxviii	1.0 (3)
Si1—Na^v	3.144 (4)	C2B—C2D^vi	1.0 (3)
Si1—Na^vi	5.616 (4)	C2B—C2D^xxx	1.0 (3)
Si2—O2	1.556 (12)	C2B—C2E^vi	1.16 (10)
Si2—O2^vii	1.556 (12)	C2B—C2E^xxx	1.16 (10)
Si2—O2^viii	1.556 (12)	C2B—C2E^xxviii	1.16 (10)
Si2—O4	1.51 (2)	C2C—C2B^xxxvii	1.29 (10)
Si2—Na^vi	5.582 (4)	C2C—C2B^xxxv	1.29 (10)
Si2—Na^ix	5.582 (4)	C2C—C2C^vi	0.8 (2)
Si2—Na^x	5.582 (4)	C2C—C2D^xxxvi	1.7 (2)
Si3—O4	1.56 (2)	C2C—C2D^xxxv	1.1 (3)
Si3—O4^xi	1.57 (2)	C2C—C2D^xxxvii	1.1 (3)
Si3—O4ⁱⁱⁱ	1.57 (2)	C2C—C2D^xxxiii	1.7 (2)
Si3—O4^xii	1.57 (2)	C2C—C2E^xxxiii	1.54 (11)
O1—Si1^xiii	1.579 (3)	C2C—C2E^xxxvi	1.54 (11)
O1—Si1^xiv	1.579 (3)	C2C—C2E^vii	0.88 (10)
O1—Na^xv	2.580 (17)	C2C—C2E^viii	0.88 (10)
O2—Si1ⁱⁱⁱ	1.556 (13)	C2C—C2E	1.46 (15)
O2—Na^vi	4.249 (18)	C2D—C2B^vi	1.0 (3)
O3—Si1^xvi	1.579 (4)	C2D—C2C^xxxv	1.1 (3)
O3—Si1^viii	1.579 (4)	C2D—C2C^xxxvii	1.1 (3)
O3—Na^xvii	4.215 (12)	C2D—C2C^xxx	1.7 (2)
O3—Na^ix	4.215 (12)	C2D—C2C^xxviii	1.7 (2)
Na—Si1^xviii	3.144 (4)	C2D—C2D^xxxiv	1.0 (5)
Na—Si1^xix	3.144 (4)	C2D—C2D^xxxii	1.0 (5)
Na—Si1^xx	3.144 (4)	C2D—C2E^xxx	1.8 (3)
Na—O1^xxi	2.580 (17)	C2D—C2E^xxviii	1.8 (3)
Na—O1^xxii	2.580 (17)	C2D—C2E	1.9 (3)
Na—O1^xxiii	2.580 (17)	C2D—C2E^xxxii	1.2 (2)
Na—O1^xxiv	2.580 (17)	C2D—C2E^xxxiv	1.2 (2)
Na—O1^xxv	2.580 (17)	C2E—C2B^vi	1.16 (10)
Na—O1^xxvi	2.580 (17)	C2E—C2B^xxxvii	1.56 (10)
Na—C2D^xxvii	2.6 (3)	C2E—C2B^xxxv	1.56 (10)
Na—C2D^xxviii	2.6 (3)	C2E—C2C^xxviii	1.54 (11)
Na—C2D^xxix	2.6 (3)	C2E—C2C^xxx	1.54 (11)
Na—C2D^xxx	2.6 (3)	C2E—C2C^viii	0.88 (10)
Na—C2D^xxxi	2.6 (3)	C2E—C2C^vii	0.88 (10)
Na—C2D^vi	2.6 (3)	C2E—C2D^xxxiv	1.2 (2)
C2B—C2C^xxxii	1.29 (10)	C2E—C2D^xxxii	1.2 (2)
C2B—C2C^xxxiii	1.29 (10)	C2E—C2E^vii	0.79 (15)
C2B—C2C^xxxiv	1.29 (10)	C2E—C2E^viii	0.79 (15)

O1ⁱ—Si1—O1ⁱⁱ	109.5 (12)	C2E^xxviii—C2B—C2C^xxxiii	78 (5)
O1ⁱ—Si1—O3^iv	109.4 (5)	C2E^xxx—C2B—C2C^xxxvi	78 (5)
O1ⁱⁱ—Si1—O3^iv	109.4 (5)	C2E^xxx—C2B—C2C^xxxiv	42 (5)
O1ⁱⁱ—Si1—Na^vi	96.64 (15)	C2E^xxx—C2B—C2C^xxxiii	162 (5)
O1ⁱⁱ—Si1—Na^v	54.8 (6)	C2E^xxx—C2B—C2C^xxxii	162 (5)
O1ⁱ—Si1—Na^vi	96.64 (15)	C2E^xxx—C2B—C2C^xxxv	78 (5)
O1ⁱ—Si1—Na^v	54.8 (6)	C2E^xxx—C2B—C2C^xxxvii	42 (5)
O2ⁱⁱⁱ—Si1—O1ⁱⁱ	108.7 (5)	C2E^xxviii—C2B—C2C^xxxv	42 (5)
O2ⁱⁱⁱ—Si1—O1ⁱ	108.7 (5)	C2E^vi—C2B—C2C^xxxii	78 (5)
O2ⁱⁱⁱ—Si1—O3^iv	111.2 (12)	C2E^xxviii—C2B—C2C^xxxvii	78 (5)
O2ⁱⁱⁱ—Si1—Na^vi	134.7 (9)	C2E^vi—C2B—C2C^xxxvi	42 (5)
O2ⁱⁱⁱ—Si1—Na^v	126.0 (9)	C2E^xxviii—C2B—C2E^vi	119.8 (12)
O3^iv—Si1—Na^v	122.8 (8)	C2E^xxx—C2B—C2E^vi	119.8 (12)
O3^iv—Si1—Na^vi	23.5 (8)	C2E^xxx—C2B—C2E^xxviii	119.8 (12)
Na^v—Si1—Na^vi	99.31 (7)	C2B^xxxv—C2C—C2B^xxxvii	65 (10)
O2—Si2—O2^vii	110.8 (8)	C2B^xxxv—C2C—C2D^xxxiii	35 (8)
O2—Si2—O2^viii	110.8 (8)	C2B^xxxvii—C2C—C2D^xxxiii	97 (10)
O2^viii—Si2—O2^vii	110.8 (8)	C2B^xxxv—C2C—C2D^xxxvi	97 (10)
O2^vii—Si2—Na^ix	96.8 (7)	C2B^xxxvii—C2C—C2D^xxxvi	35 (8)
O2^viii—Si2—Na^ix	26.6 (9)	C2B^xxxvii—C2C—C2E^xxxiii	66 (7)
O2—Si2—Na^vi	26.6 (9)	C2B^xxxvii—C2C—C2E^xxxvi	47 (5)
O2^viii—Si2—Na^x	96.8 (7)	C2B^xxxv—C2C—C2E^xxxvi	66 (7)
O2^viii—Si2—Na^vi	96.8 (7)	C2B^xxxv—C2C—C2E^xxxiii	47 (5)
O2—Si2—Na^ix	96.8 (7)	C2B^xxxv—C2C—C2E	69 (7)
O2—Si2—Na^x	96.8 (7)	C2B^xxxvii—C2C—C2E	69 (7)
O2^vii—Si2—Na^vi	96.8 (7)	C2C^vi—C2C—C2B^xxxvii	72 (5)
O2^vii—Si2—Na^x	26.6 (9)	C2C^vi—C2C—C2B^xxxv	72 (5)
O4—Si2—O2^viii	108.1 (9)	C2C^vi—C2C—C2D^xxxvi	94 (9)
O4—Si2—O2^vii	108.1 (9)	C2C^vi—C2C—C2D^xxxv	68 (8)
O4—Si2—O2	108.1 (9)	C2C^vi—C2C—C2D^xxxiii	94 (9)
O4—Si2—Na^ix	134.76 (4)	C2C^vi—C2C—C2D^xxxvii	68 (8)
O4—Si2—Na^x	134.76 (4)	C2C^vi—C2C—C2E^viii	133 (10)
O4—Si2—Na^vi	134.76 (4)	C2C^vi—C2C—C2E	133 (6)
Na^x—Si2—Na^vi	75.90 (6)	C2C^vi—C2C—C2E^xxxvi	25 (5)
Na^ix—Si2—Na^vi	75.90 (6)	C2C^vi—C2C—C2E^vii	133 (10)
Na^x—Si2—Na^ix	75.90 (6)	C2C^vi—C2C—C2E^xxxiii	25 (5)
O4^xii—Si3—O4ⁱⁱⁱ	109.471 (2)	C2D^xxxvii—C2C—C2B^xxxv	49 (10)
O4^xii—Si3—O4^xi	109.471 (1)	C2D^xxxv—C2C—C2B^xxxv	109 (10)
O4—Si3—O4^xii	109.471 (2)	C2D^xxxv—C2C—C2B^xxxvii	49 (10)
O4—Si3—O4^xi	109.471 (4)	C2D^xxxvii—C2C—C2B^xxxvii	109 (10)
O4^xi—Si3—O4ⁱⁱⁱ	109.471 (1)	C2D^xxxvi—C2C—C2D^xxxiii	123 (10)
O4—Si3—O4ⁱⁱⁱ	109.5	C2D^xxxv—C2C—C2D^xxxiii	144 (10)
Si1^xiv—O1—Si1^xiii	169.6 (12)	C2D^xxxvii—C2C—C2D^xxxiii	36 (10)
Si1^xiii—O1—Na^xv	95.2 (6)	C2D^xxxv—C2C—C2D^xxxvi	36 (10)
Si1^xiv—O1—Na^xv	95.2 (6)	C2D^xxxvii—C2C—C2D^xxxv	135 (10)
Si1ⁱⁱⁱ—O2—Na^vi	36.8 (6)	C2D^xxxvii—C2C—C2D^xxxvi	144 (10)
Si2—O2—Si1ⁱⁱⁱ	179.3 (19)	C2D^xxxv—C2C—C2E^xxxiii	83 (10)
Si2—O2—Na^vi	143.9 (11)	C2D^xxxv—C2C—C2E^xxxvi	53 (10)
Si1^viii—O3—Si1^xvi	173.3 (16)	C2D^xxxvii—C2C—C2E	102 (10)
Si1^xvi—O3—Na^ix	38.8 (6)	C2D^xxxvii—C2C—C2E^xxxvi	83 (10)
Si1^viii—O3—Na^xvii	38.8 (6)	C2D^xxxv—C2C—C2E	102 (10)
Si1^xvi—O3—Na^xvii	147.9 (10)	C2D^xxxvii—C2C—C2E^xxxiii	53 (10)
Si1^viii—O3—Na^ix	147.9 (10)	C2E^vii—C2C—C2B^xxxv	90 (10)
Na^ix—O3—Na^xvii	109.1 (5)	C2E^viii—C2C—C2B^xxxvii	90 (10)
Si2—O4—Si3	180.0 (8)	C2E^vii—C2C—C2B^xxxvii	61 (9)
Si1^xix—Na—Si1^xx	180.00 (10)	C2E^viii—C2C—C2B^xxxv	61 (9)
Si1^xviii—Na—Si1^xix	119.975 (4)	C2E^vii—C2C—C2D^xxxvi	44 (10)
Si1^xviii—Na—Si1^xx	60.025 (4)	C2E^vii—C2C—C2D^xxxiii	94 (10)
O1^xxvi—Na—Si1^xx	90.0	C2E^xxxiii—C2C—C2D^xxxiii	72 (9)
O1^xxv—Na—Si1^xviii	30.013 (2)	C2E^viii—C2C—C2D^xxxvii	79 (10)
O1^xxi—Na—Si1^xx	30.013 (2)	C2E—C2C—C2D^xxxvi	67 (10)
O1^xxiii—Na—Si1^xix	149.987 (2)	C2E^viii—C2C—C2D^xxxv	130 (10)
O1^xxvi—Na—Si1^xviii	149.987 (2)	C2E—C2C—C2D^xxxiii	67 (10)
O1^xxv—Na—Si1^xx	90.0	C2E^xxxvi—C2C—C2D^xxxiii	98 (10)
O1^xxii—Na—Si1^xx	149.987 (2)	C2E^viii—C2C—C2D^xxxvi	94 (10)
O1^xxiii—Na—Si1^xx	30.013 (2)	C2E^viii—C2C—C2D^xxxiii	44 (10)
O1^xxvi—Na—Si1^xix	90.0	C2E^xxxvi—C2C—C2D^xxxvi	72 (9)
O1^xxiii—Na—Si1^xviii	90.0	C2E^vii—C2C—C2D^xxxvii	130 (10)
O1^xxiv—Na—Si1^xix	30.013 (2)	C2E^vii—C2C—C2D^xxxv	79 (10)
O1^xxi—Na—Si1^xix	149.987 (2)	C2E^xxxiii—C2C—C2D^xxxvi	98 (10)
O1^xxiv—Na—Si1^xviii	149.987 (2)	C2E^vii—C2C—C2E^xxxvi	108 (10)
O1^xxii—Na—Si1^xviii	90.000 (1)	C2E—C2C—C2E^xxxiii	112 (10)
O1^xxi—Na—Si1^xviii	30.013 (2)	C2E^vii—C2C—C2E^xxxiii	123 (10)
O1^xxii—Na—Si1^xix	30.013 (2)	C2E^viii—C2C—C2E^xxxiii	108 (10)
O1^xxiv—Na—Si1^xx	149.987 (2)	C2E—C2C—C2E^xxxvi	112 (10)
O1^xxv—Na—Si1^xix	90.0	C2E^viii—C2C—C2E	28 (7)
O1^xxii—Na—O1^xxv	60.000 (1)	C2E^vii—C2C—C2E^viii	54 (10)
O1^xxiv—Na—O1^xxv	120.000 (1)	C2E^viii—C2C—C2E^xxxvi	123 (10)
O1^xxi—Na—O1^xxvi	120.000 (1)	C2E^xxxvi—C2C—C2E^xxxiii	30 (7)
O1^xxiii—Na—O1^xxii	180.0	C2E^vii—C2C—C2E	28 (7)
O1^xxiii—Na—O1^xxv	120.000 (1)	C2B^vi—C2D—C2C^xxviii	48 (9)
O1^xxiv—Na—O1^xxii	60.000 (1)	C2B^vi—C2D—C2C^xxx	48 (9)
O1^xxi—Na—O1^xxiii	60.0	C2B^vi—C2D—C2C^xxxv	78 (10)
O1^xxiv—Na—O1^xxvi	60.000 (1)	C2B^vi—C2D—C2C^xxxvii	78 (10)
O1^xxii—Na—O1^xxvi	120.000 (1)	C2B^vi—C2D—C2D^xxxiv	58 (10)
O1^xxiv—Na—O1^xxi	180.0	C2B^vi—C2D—C2D^xxxii	58 (10)
O1^xxv—Na—O1^xxvi	180.0	C2B^vi—C2D—C2E^xxviii	62 (10)
O1^xxiv—Na—O1^xxiii	120.000 (1)	C2B^vi—C2D—C2E^xxx	62 (10)
O1^xxiii—Na—O1^xxvi	60.000 (1)	C2B^vi—C2D—C2E^xxxii	61 (10)
O1^xxi—Na—O1^xxii	120.000 (1)	C2B^vi—C2D—C2E^xxxiv	61 (10)
O1^xxi—Na—O1^xxv	60.000 (1)	C2B^vi—C2D—C2E	30 (10)
O1^xxvi—Na—C2D^xxxi	79 (6)	C2C^xxxvii—C2D—C2C^xxviii	105 (10)
O1^xxiii—Na—C2D^xxix	101 (5)	C2C^xxxvii—C2D—C2C^xxx	73 (10)
O1^xxiv—Na—C2D^xxx	101 (5)	C2C^xxx—C2D—C2C^xxviii	95 (10)
O1^xxiv—Na—C2D^vi	89.996 (18)	C2C^xxxvii—C2D—C2C^xxxv	44 (10)
O1^xxiii—Na—C2D^xxvii	90.00 (3)	C2C^xxxv—C2D—C2C^xxx	105 (10)
O1^xxi—Na—C2D^xxvii	79 (5)	C2C^xxxv—C2D—C2C^xxviii	73 (10)
O1^xxvi—Na—C2D^xxx	89.996 (6)	C2C^xxxvii—C2D—C2E^xxxiv	44 (10)
O1^xxii—Na—C2D^xxvii	90.004 (12)	C2C^xxviii—C2D—C2E^xxx	101 (10)
O1^xxii—Na—C2D^xxviii	90.00 (3)	C2C^xxxv—C2D—C2E	105 (10)
O1^xxvi—Na—C2D^xxvii	101 (6)	C2C^xxx—C2D—C2E^xxviii	101 (10)
O1^xxii—Na—C2D^xxxi	101 (5)	C2C^xxviii—C2D—C2E	50 (9)
O1^xxi—Na—C2D^xxx	79 (5)	C2C^xxxvii—C2D—C2E^xxxii	84 (10)
O1^xxv—Na—C2D^xxxi	101 (5)	C2C^xxxvii—C2D—C2E^xxx	23 (10)
O1^xxv—Na—C2D^xxx	90.00 (4)	C2C^xxx—C2D—C2E	50 (9)
O1^xxiv—Na—C2D^xxix	79 (5)	C2C^xxxv—C2D—C2E^xxx	60 (10)
O1^xxii—Na—C2D^xxix	79 (5)	C2C^xxxv—C2D—C2E^xxviii	23 (10)
O1^xxv—Na—C2D^xxix	89.996 (6)	C2C^xxx—C2D—C2E^xxx	50 (8)
O1^xxvi—Na—C2D^xxviii	79 (5)	C2C^xxxvii—C2D—C2E	105 (10)
O1^xxi—Na—C2D^xxix	101 (5)	C2C^xxxv—C2D—C2E^xxxii	44 (10)
O1^xxiii—Na—C2D^vi	101 (5)	C2C^xxxv—C2D—C2E^xxxiv	84 (10)
O1^xxv—Na—C2D^xxvii	79 (5)	C2C^xxviii—C2D—C2E^xxviii	50 (8)
O1^xxii—Na—C2D^vi	79 (5)	C2C^xxxvii—C2D—C2E^xxviii	60 (10)
O1^xxvi—Na—C2D^xxix	90.00 (4)	C2D^xxxii—C2D—C2C^xxviii	86 (9)
O1^xxv—Na—C2D^vi	79 (5)	C2D^xxxii—C2D—C2C^xxx	36 (10)
O1^xxiv—Na—C2D^xxvii	101 (5)	C2D^xxxiv—C2D—C2C^xxxvii	134 (10)
O1^xxvi—Na—C2D^vi	101 (5)	C2D^xxxiv—C2D—C2C^xxxv	109 (10)
O1^xxiv—Na—C2D^xxxi	90.00 (3)	C2D^xxxiv—C2D—C2C^xxx	86 (9)
O1^xxiv—Na—C2D^xxviii	79 (5)	C2D^xxxii—C2D—C2C^xxxvii	108 (10)
O1^xxiii—Na—C2D^xxx	79 (5)	C2D^xxxii—C2D—C2C^xxxv	134 (10)
O1^xxi—Na—C2D^xxviii	101 (6)	C2D^xxxiv—C2D—C2C^xxviii	36 (10)
O1^xxi—Na—C2D^xxxi	89.996 (17)	C2D^xxxii—C2D—C2D^xxxiv	60.00 (8)
O1^xxiii—Na—C2D^xxviii	90.004 (12)	C2D^xxxiv—C2D—C2E^xxxii	65 (10)
O1^xxv—Na—C2D^xxviii	101 (6)	C2D^xxxiv—C2D—C2E	37 (5)
O1^xxii—Na—C2D^xxx	101 (6)	C2D^xxxii—C2D—C2E^xxx	86 (9)
O1^xxiii—Na—C2D^xxxi	79 (5)	C2D^xxxii—C2D—C2E	37 (5)
O1^xxi—Na—C2D^vi	90.00 (3)	C2D^xxxiv—C2D—C2E^xxx	120 (10)
C2D^xxviii—Na—Si1^xviii	104 (6)	C2D^xxxii—C2D—C2E^xxviii	120 (10)
C2D^xxxi—Na—Si1^xix	96 (3)	C2D^xxxii—C2D—C2E^xxxiv	65 (10)
C2D^xxx—Na—Si1^xx	76 (6)	C2D^xxxiv—C2D—C2E^xxxiv	113 (10)
C2D^vi—Na—Si1^xx	96 (3)	C2D^xxxiv—C2D—C2E^xxviii	86 (9)
C2D^xxviii—Na—Si1^xx	96 (3)	C2D^xxxii—C2D—C2E^xxxii	113 (10)
C2D^xxvii—Na—Si1^xx	84 (3)	C2E^xxxii—C2D—C2C^xxviii	30 (7)
C2D^xxxi—Na—Si1^xx	84 (3)	C2E^xxxiv—C2D—C2C^xxviii	109 (10)
C2D^xxvii—Na—Si1^xviii	76 (6)	C2E^xxxii—C2D—C2C^xxx	109 (10)
C2D^xxxi—Na—Si1^xviii	96 (3)	C2E^xxxiv—C2D—C2C^xxx	30 (7)
C2D^vi—Na—Si1^xix	84 (3)	C2E^xxxiv—C2D—C2E^xxviii	90 (10)
C2D^vi—Na—Si1^xviii	84 (3)	C2E^xxx—C2D—C2E^xxviii	69 (10)
C2D^xxx—Na—Si1^xviii	84 (3)	C2E^xxxiv—C2D—C2E	76 (10)
C2D^xxviii—Na—Si1^xix	84 (3)	C2E^xxxiv—C2D—C2E^xxx	24 (8)
C2D^xxix—Na—Si1^xx	104 (6)	C2E^xxviii—C2D—C2E	86 (10)
C2D^xxx—Na—Si1^xix	104 (6)	C2E^xxxii—C2D—C2E^xxx	90 (10)
C2D^xxix—Na—Si1^xviii	96 (3)	C2E^xxxii—C2D—C2E	76 (10)
C2D^xxix—Na—Si1^xix	76 (6)	C2E^xxxii—C2D—C2E^xxxiv	108 (10)
C2D^xxvii—Na—Si1^xix	96 (3)	C2E^xxxii—C2D—C2E^xxviii	24 (8)
C2D^xxx—Na—C2D^vi	23 (10)	C2E^xxx—C2D—C2E	86 (10)
C2D^xxx—Na—C2D^xxix	180.00 (2)	C2B^xxxv—C2E—C2B^xxxvii	52 (7)
C2D^xxviii—Na—C2D^xxx	23 (10)	C2B^vi—C2E—C2B^xxxvii	59 (10)
C2D^xxviii—Na—C2D^xxvii	180 (7)	C2B^vi—C2E—C2B^xxxv	59 (10)
C2D^xxvii—Na—C2D^xxxi	23 (10)	C2B^vi—C2E—C2C^xxx	55 (5)
C2D^xxx—Na—C2D^xxxi	157 (10)	C2B^vi—C2E—C2C	99 (10)
C2D^xxviii—Na—C2D^xxix	157 (10)	C2B^vi—C2E—C2C^xxviii	55 (5)
C2D^xxix—Na—C2D^vi	157 (10)	C2B^vi—C2E—C2D^xxxiv	49 (10)
C2D^xxviii—Na—C2D^vi	23 (10)	C2B^vi—C2E—C2D^xxxii	49 (10)
C2D^xxix—Na—C2D^xxxi	23 (10)	C2C^vii—C2E—C2B^xxxv	56 (9)
C2D^xxvii—Na—C2D^vi	157 (10)	C2C—C2E—C2B^xxxvii	50 (5)
C2D^xxvii—Na—C2D^xxx	157 (10)	C2C^xxviii—C2E—C2B^xxxv	94 (8)
C2D^xxviii—Na—C2D^xxxi	157 (10)	C2C^xxx—C2E—C2B^xxxvii	94 (8)
C2D^xxvii—Na—C2D^xxix	23 (10)	C2C^viii—C2E—C2B^vi	77 (10)
C2D^xxxi—Na—C2D^vi	180.00 (2)	C2C^xxx—C2E—C2B^xxxv	49 (4)
C2C^xxxii—C2B—C2C^xxxiii	36 (10)	C2C^vii—C2E—C2B^vi	77 (10)
C2C^xxxii—C2B—C2C^xxxvi	120.0 (4)	C2C^viii—C2E—C2B^xxxvii	56 (9)
C2C^xxxv—C2B—C2C^xxxvi	156 (10)	C2C^viii—C2E—C2B^xxxv	107 (10)
C2C^xxxvii—C2B—C2C^xxxv	36 (10)	C2C—C2E—C2B^xxxv	50 (5)
C2C^xxxiv—C2B—C2C^xxxvi	36 (10)	C2C^xxviii—C2E—C2B^xxxvii	49 (4)
C2C^xxxvii—C2B—C2C^xxxvi	120.0 (4)	C2C^vii—C2E—C2B^xxxvii	107 (10)
C2C^xxxii—C2B—C2C^xxxvii	120.0 (5)	C2C^vii—C2E—C2C^xxx	22 (8)
C2C^xxxii—C2B—C2C^xxxiv	156 (10)	C2C^viii—C2E—C2C^xxviii	22 (8)
C2C^xxxiii—C2B—C2C^xxxvii	156 (10)	C2C—C2E—C2C^xxx	96 (6)
C2C^xxxiii—C2B—C2C^xxxvi	84 (10)	C2C^xxviii—C2E—C2C^xxx	110 (10)
C2C^xxxiv—C2B—C2C^xxxvii	84 (10)	C2C^viii—C2E—C2C	91 (7)
C2C^xxxiii—C2B—C2C^xxxiv	120.0 (4)	C2C—C2E—C2C^xxviii	96 (6)
C2C^xxxiii—C2B—C2C^xxxv	120.0 (4)	C2C^vii—C2E—C2C^xxviii	132 (10)
C2C^xxxiv—C2B—C2C^xxxv	120.0 (4)	C2C^viii—C2E—C2C^xxx	132 (10)
C2C^xxxii—C2B—C2C^xxxv	84 (10)	C2C^vii—C2E—C2C	91 (7)
C2D^xxviii—C2B—C2C^xxxii	116 (10)	C2C^vii—C2E—C2C^viii	154 (10)
C2D^xxviii—C2B—C2C^xxxvii	96 (7)	C2C^viii—C2E—C2D^xxxii	106 (10)
C2D^xxx—C2B—C2C^xxxv	96 (7)	C2C^vii—C2E—C2D^xxxii	57 (10)
C2D^xxx—C2B—C2C^xxxvi	96 (7)	C2C^viii—C2E—C2D^xxxiv	57 (10)
C2D^xxviii—C2B—C2C^xxxv	116 (10)	C2C^vii—C2E—C2D^xxxiv	106 (10)
C2D^vi—C2B—C2C^xxxv	53 (10)	C2D^xxxiv—C2E—C2B^xxxvii	86 (10)
C2D^vi—C2B—C2C^xxxiv	96 (7)	C2D^xxxii—C2E—C2B^xxxvii	107 (10)
C2D^vi—C2B—C2C^xxxii	96 (7)	C2D^xxxiv—C2E—C2B^xxxv	107 (10)
C2D^vi—C2B—C2C^xxxiii	116 (10)	C2D^xxxii—C2E—C2B^xxxv	86 (10)
C2D^xxx—C2B—C2C^xxxvii	116 (10)	C2D^xxxii—C2E—C2C^xxx	43 (10)
C2D^xxx—C2B—C2C^xxxiii	53 (10)	C2D^xxxiv—C2E—C2C^xxx	88 (10)
C2D^xxx—C2B—C2C^xxxii	53 (10)	C2D^xxxii—C2E—C2C	136 (10)
C2D^xxviii—C2B—C2C^xxxiv	53 (10)	C2D^xxxiv—C2E—C2C	136 (10)
C2D^xxviii—C2B—C2C^xxxvi	53 (10)	C2D^xxxii—C2E—C2C^xxviii	88 (10)
C2D^xxx—C2B—C2C^xxxiv	116 (10)	C2D^xxxiv—C2E—C2C^xxviii	43 (10)
C2D^xxviii—C2B—C2C^xxxiii	96 (7)	C2D^xxxii—C2E—C2D^xxxiv	50 (10)
C2D^vi—C2B—C2C^xxxvii	53 (10)	C2E^viii—C2E—C2B^xxxv	46 (5)
C2D^vi—C2B—C2C^xxxvi	116 (10)	C2E^viii—C2E—C2B^vi	104 (7)
C2D^xxviii—C2B—C2D^xxx	64 (10)	C2E^vii—C2E—C2B^xxxv	75 (3)
C2D^vi—C2B—C2D^xxx	64 (10)	C2E^vii—C2E—C2B^vi	104 (7)
C2D^xxviii—C2B—C2D^vi	64 (10)	C2E^viii—C2E—C2B^xxxvii	75 (3)
C2D^xxviii—C2B—C2E^xxviii	125 (10)	C2E^vii—C2E—C2B^xxxvii	46 (5)
C2D^vi—C2B—C2E^vi	125 (10)	C2E^vii—C2E—C2C^xxx	124 (4)
C2D^xxviii—C2B—C2E^xxx	70 (8)	C2E^vii—C2E—C2C^vii	122 (7)
C2D^xxx—C2B—C2E^xxviii	70 (8)	C2E^viii—C2E—C2C^vii	63 (6)
C2D^vi—C2B—C2E^xxx	70 (8)	C2E^viii—C2E—C2C^viii	122 (7)
C2D^xxviii—C2B—C2E^vi	70 (8)	C2E^vii—C2E—C2C^viii	63 (6)
C2D^xxx—C2B—C2E^vi	70 (8)	C2E^viii—C2E—C2C	30.9 (14)
C2D^xxx—C2B—C2E^xxx	125 (10)	C2E^vii—C2E—C2C	30.9 (14)
C2D^vi—C2B—C2E^xxviii	70 (8)	C2E^viii—C2E—C2C^xxx	75 (3)
C2E^xxviii—C2B—C2C^xxxiv	162 (5)	C2E^vii—C2E—C2C^xxviii	75 (3)
C2E^vi—C2B—C2C^xxxv	162 (5)	C2E^viii—C2E—C2C^xxviii	124 (4)
C2E^vi—C2B—C2C^xxxiv	78 (5)	C2E^vii—C2E—C2D^xxxii	153 (10)
C2E^xxviii—C2B—C2C^xxxii	42 (5)	C2E^viii—C2E—C2D^xxxiv	153 (10)
C2E^vi—C2B—C2C^xxxvii	162 (5)	C2E^vii—C2E—C2D^xxxiv	118 (10)
C2E^xxviii—C2B—C2C^xxxvi	162 (5)	C2E^viii—C2E—C2D^xxxii	118 (10)
C2E^vi—C2B—C2C^xxxiii	42 (5)	C2E^vii—C2E—C2E^viii	60.01 (3)

Symmetry codes: (i) y−1/4, −x, z+3/4; (ii) −x, y−1/4, z+3/4; (iii) −x+1/4, −y+1/4, z; (iv) −z+1/4, −y+1/4, x; (v) x−1/2, y−1/2, z; (vi) −x+3/4, −y+3/4, z; (vii) y, z, x; (viii) z, x, y; (ix) −y+1, x−1/4, z−1/4; (x) y−1/4, −x+1, z−1/4; (xi) y, −x+1/4, −z+1/4; (xii) −y+1/4, x, −z+1/4; (xiii) y, −z+3/4, −x−1/4; (xiv) −y, x+1/4, z−3/4; (xv) −y+1/2, x−1/4, z−3/4; (xvi) z, −y+1/4, −x+1/4; (xvii) x, y−1/2, z−1/2; (xviii) z, x+1/2, y+1/2; (xix) y+1/2, z, x+1/2; (xx) −y+1/2, −z+1, −x+1/2; (xxi) z+3/4, y+1/4, −x+1/2; (xxii) x+1/2, −y+3/4, −z+1/4; (xxiii) −x+1/2, y+1/4, z+3/4; (xxiv) −z+1/4, −y+3/4, x+1/2; (xxv) −y+3/4, x+1/2, −z+1/4; (xxvi) y+1/4, −x+1/2, z+3/4; (xxvii) −z+1, y+1/4, x+1/4; (xxviii) z, −y+3/4, −x+3/4; (xxix) x+1/4, −z+1, y+1/4; (xxx) −x+3/4, z, −y+3/4; (xxxi) x+1/4, y+1/4, −z+1; (xxxii) y, −z+3/4, −x+3/4; (xxxiii) −x+3/4, −z+3/4, y; (xxxiv) −z+3/4, x, −y+3/4; (xxxv) y, −x+3/4, −z+3/4; (xxxvi) −z+3/4, −y+3/4, x; (xxxvii) −y+3/4, x, −z+3/4.

(200k_mcl) top

Crystal data top

0.02(C₁₆O₂₇₂Si₁₃₆)·0.02(C_20.75)	F(000) = 4301
M_r = 143.59	D_x = 1.941 Mg m⁻³
Monoclinic, A2/n	Mo Kα radiation, λ = 0.71073 Å
a = 23.834 (5) Å	Cell parameters from 61878 reflections
b = 13.760 (5) Å	θ = 3–67°
c = 23.833 (3) Å	µ = 0.70 mm⁻¹
β = 109.47°	T = 200 K
V = 7369 (3) Å³	Platelet
Z = 60

Data collection top

StoeStadiVari diffractometer	θ_max = 33.3°, θ_min = 2.1°
92816 measured reflections	h = −28→36
19260 independent reflections	k = −21→20
7236 reflections with I > 2σ(I)	l = −36→20
R_int = 0.085

Refinement top

Refinement on F²	214 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.088	w = 1/[σ²(F_o²) + (0.1495P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.278	(Δ/σ)_max = 0.100
S = 0.92	Δρ_max = 1.40 e Å⁻³
19260 reflections	Δρ_min = −1.69 e Å⁻³

Special details top

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1A	0.01107 (7)	0.99967 (14)	0.14327 (7)	0.01350 (12)*
Si1B	0.18520 (8)	0.19988 (13)	0.25483 (8)	0.01350 (12)*
Si1C	0.18559 (8)	0.78844 (13)	0.25663 (8)	0.01350 (12)*
Si1D	0.99798 (8)	0.31177 (13)	0.43485 (8)	0.01350 (12)*
Si1E	0.99794 (8)	0.69066 (13)	0.43375 (8)	0.01350 (12)*
Si1F	0.18532 (8)	0.88669 (13)	0.57000 (8)	0.01350 (12)*
Si1G	0.18662 (8)	0.11631 (13)	0.56482 (8)	0.01350 (12)*
Si1H	0.18312 (8)	0.31245 (13)	0.37038 (8)	0.01350 (12)*
Si1I	0.18278 (8)	0.68899 (13)	0.37630 (8)	0.01350 (12)*
Si1J	0.12962 (7)	0.99497 (13)	0.25655 (7)	0.01350 (12)*
Si1K	0.11185 (8)	0.81597 (13)	0.43982 (8)	0.01350 (12)*
Si1L	0.11143 (8)	0.19055 (13)	0.43516 (8)	0.01350 (12)*
Si2A	0.89199 (7)	0.99743 (13)	0.17347 (7)	0.01223 (16)*
Si2B	0.10909 (8)	0.67987 (12)	0.14101 (8)	0.01223 (16)*
Si2C	0.89336 (8)	0.18425 (12)	0.35639 (8)	0.01223 (16)*
Si2D	0.07455 (7)	0.00068 (13)	0.35868 (7)	0.01223 (16)*
Si3	0.93784 (8)	−0.00081 (13)	0.31005 (8)	0.0139 (3)*
O1A	0.2500	0.2121 (7)	0.2500	0.0360 (4)*
O1B	0.2500	0.7790 (7)	0.2500	0.0360 (4)*
O1C	0.0072 (3)	0.9032 (5)	0.1049 (3)	0.0360 (4)*
O1D	0.2500 (3)	0.8401 (5)	0.5896 (3)	0.0360 (4)*
O1E	1.0003 (3)	0.3393 (5)	0.5011 (3)	0.0360 (4)*
O1F	0.3542 (3)	0.6540 (5)	0.4997 (3)	0.0360 (4)*
O1G	0.1472 (3)	0.8392 (5)	0.5080 (3)	0.0360 (4)*
O1H	0.1566 (3)	0.2483 (5)	0.4108 (3)	0.0360 (4)*
O1I	0.1698 (3)	0.9003 (5)	0.2560 (3)	0.0360 (4)*
O1J	0.1552 (3)	0.7629 (5)	0.4118 (3)	0.0360 (4)*
O1K	0.0123 (3)	0.0931 (5)	0.1041 (3)	0.0360 (4)*
O1L	0.2515 (3)	0.1619 (5)	0.5797 (3)	0.0360 (4)*
O1M	0.1715 (3)	0.0869 (5)	0.2574 (3)	0.0360 (4)*
O2A	0.1369 (3)	0.7351 (5)	0.2022 (3)	0.0408 (5)*
O2B	0.8636 (3)	0.2573 (5)	0.3034 (3)	0.0408 (5)*
O2C	0.8585 (3)	0.9040 (5)	0.1383 (3)	0.0408 (5)*
O2D	0.0603 (3)	0.7442 (5)	0.0941 (3)	0.0408 (5)*
O2E	0.9426 (3)	0.2402 (5)	0.4083 (3)	0.0408 (5)*
O2F	0.0828 (3)	0.1023 (6)	0.3922 (3)	0.0408 (5)*
O2G	0.8455 (3)	0.1387 (5)	0.3806 (3)	0.0408 (5)*
O2H	0.1141 (3)	0.9928 (5)	0.3173 (3)	0.0408 (5)*
O2I	0.0894 (3)	0.9157 (5)	0.4064 (3)	0.0408 (5)*
O2J	0.1597 (3)	0.6533 (5)	0.1140 (3)	0.0408 (5)*
O2K	0.8557 (3)	0.0921 (5)	0.1474 (3)	0.0408 (5)*
O2L	0.9558 (3)	0.0054 (5)	0.1660 (3)	0.0408 (5)*
O3A	0.0706 (3)	0.9977 (5)	0.2000 (3)	0.0359 (5)*
O3B	0.1905 (3)	0.0008 (5)	0.5641 (3)	0.0359 (5)*
O3C	0.9414 (3)	0.2380 (5)	0.0635 (3)	0.0359 (5)*
O3D	0.0558 (3)	0.7483 (5)	0.4362 (3)	0.0359 (5)*
O3E	0.1861 (3)	0.7387 (5)	0.3174 (3)	0.0359 (5)*
O3F	0.1824 (3)	0.2540 (5)	0.3127 (3)	0.0359 (5)*
O4A	0.0065 (4)	0.9927 (6)	0.3165 (4)	0.0452 (8)*
O4B	0.9277 (4)	0.1027 (6)	0.3329 (3)	0.0452 (8)*
O4C	0.8989 (4)	0.9845 (6)	0.2414 (4)	0.0452 (8)*
O4D	0.9231 (4)	0.9179 (6)	0.3499 (3)	0.0452 (8)*
C1A	0.0000	0.2500	0.2500	0.058 (4)*
C1B	0.0000	0.2500	0.7500	0.065 (5)*
C1C	0.7500	0.0013 (15)	0.2500	0.061 (5)*
C1D	0.0000	0.0000	0.5000	0.051 (4)*
C2A	0.808 (2)	0.409 (4)	0.404 (2)	0.050*	0.27 (3)
C2B	0.280 (2)	0.928 (4)	0.424 (2)	0.050*	0.24 (3)
C2C	0.854 (6)	0.148 (9)	−0.046 (6)	0.050*	0.10 (3)
C2D	0.272 (3)	0.071 (4)	0.429 (3)	0.050*	0.22 (3)
C2E	0.185 (3)	0.050 (5)	0.110 (3)	0.050*	0.22 (4)
C2F	0.1866 (18)	0.930 (3)	0.1057 (18)	0.050*	0.32 (3)
C2G	0.202 (3)	0.573 (5)	0.536 (3)	0.050*	0.20 (3)
C2H	0.234 (2)	0.002 (3)	0.437 (2)	0.050*	0.29 (4)
C2I	0.345 (7)	0.040 (11)	0.504 (6)	0.050*	0.09 (3)
C2J	0.290 (2)	0.922 (4)	0.466 (2)	0.050*	0.25 (3)
C2K	0.868 (2)	0.496 (4)	0.453 (3)	0.050*	0.24 (4)
C2L	0.879 (3)	0.504 (5)	0.489 (4)	0.050*	0.17 (4)

Geometric parameters (Å, º) top

Si1A—O1C	1.598 (7)	O2H—C1Bⁱⁱⁱ	4.269 (8)
Si1A—O1Kⁱ	1.595 (7)	O2I—Si2Dⁱ	1.586 (8)
Si1A—O2Lⁱⁱ	1.583 (7)	O2I—C1Bⁱⁱⁱ	4.283 (8)
Si1A—O3A	1.600 (7)	O2I—C1Dⁱ	3.746 (7)
Si1A—C1Aⁱ	4.342 (2)	O2J—Si1Gⁱⁱⁱ	1.596 (7)
Si1A—C1Bⁱⁱⁱ	4.335 (2)	O2J—C1C^iv	3.874 (13)
Si1B—O1A	1.595 (2)	O2J—C1Dⁱⁱⁱ	4.408 (8)
Si1B—O1M	1.594 (7)	O2K—Si1H^iv	1.581 (8)
Si1B—O2B^iv	1.597 (8)	O2K—Si2A^xvi	1.572 (8)
Si1B—O3F	1.588 (7)	O2K—C1A^vi	4.115 (8)
Si1B—C1A	4.431 (2)	O2K—C1C	4.242 (9)
Si1B—C1C^iv	4.407 (19)	O2L—Si1A^xviii	1.583 (7)
Si1C—O1B	1.600 (2)	O2L—Si2A^xvi	1.594 (8)
Si1C—O1I	1.584 (7)	O2L—C1A^vi	3.878 (7)
Si1C—O2A	1.602 (8)	O2L—C1B^xix	4.009 (7)
Si1C—O3E	1.598 (7)	O3A—C1Aⁱ	4.200 (7)
Si1C—C1Bⁱⁱⁱ	4.405 (2)	O3A—C1Bⁱⁱⁱ	4.148 (7)
Si1C—C1C^iv	4.294 (19)	O3B—Si1F^xvi	1.586 (7)
Si1D—O1E	1.607 (6)	O3B—C1C^xiv	4.178 (7)
Si1D—O1K^iv	1.576 (7)	O3B—C1D	4.281 (7)
Si1D—O2E	1.599 (8)	O3C—Si1D^v	1.588 (7)
Si1D—O3C^v	1.588 (7)	O3C—Si1L^iv	1.606 (7)
Si1D—C1A^vi	4.5027 (17)	O3C—C1A^vi	4.196 (7)
Si1D—C1D^vi	4.557 (2)	O3C—C1D^ix	4.318 (7)
Si1E—O1C^vii	1.567 (7)	O3D—Si1E^xxi	1.574 (7)
Si1E—O1E^viii	1.593 (6)	O3D—C1Bⁱⁱⁱ	4.188 (7)
Si1E—O2D^vii	1.599 (8)	O3D—C1Dⁱ	4.174 (7)
Si1E—O3D^vi	1.574 (7)	O3E—C1Bⁱⁱⁱ	4.187 (7)
Si1E—C1B^ix	4.4710 (17)	O3E—C1C^iv	4.176 (17)
Si1E—C1D^x	4.535 (2)	O3F—C1A	4.099 (7)
Si1F—O1D	1.589 (7)	O3F—C1C^iv	4.215 (17)
Si1F—O1G	1.594 (7)	O4A—Si2Dⁱ	1.602 (9)
Si1F—O2G^xi	1.620 (7)	O4A—Si3ⁱⁱ	1.595 (8)
Si1F—O3Bⁱ	1.586 (7)	O4A—C1Aⁱ	3.861 (8)
Si1F—C1C^xi	4.330 (7)	O4A—C1Bⁱⁱⁱ	3.677 (8)
Si1F—C1Dⁱ	4.451 (2)	O4A—C1Dⁱ	4.429 (8)
Si1G—O1F^xii	1.606 (7)	O4B—C1A^vi	3.639 (7)
Si1G—O1L	1.595 (7)	O4B—C1C	4.268 (10)
Si1G—O2J^xiii	1.596 (7)	O4B—C1D^vi	4.032 (8)
Si1G—O3B	1.592 (7)	O4C—Si3ⁱ	1.603 (9)
Si1G—C1C^xiv	4.465 (7)	O4C—C1A^x	4.344 (8)
Si1G—C1D	4.489 (2)	O4C—C1B^ix	3.991 (8)
Si1H—O1D^xii	1.608 (7)	O4C—C1Cⁱ	3.630 (8)
Si1H—O1H	1.586 (7)	O4D—Si2B^vii	1.599 (8)
Si1H—O2K^iv	1.581 (8)	O4D—Si3ⁱ	1.582 (8)
Si1H—O3F	1.588 (7)	O4D—C1B^ix	4.157 (7)
Si1H—C1A	4.435 (2)	O4D—C1Cⁱ	4.179 (10)
Si1H—C1C^iv	4.515 (12)	O4D—C1D^x	3.613 (8)
Si1I—O1J	1.598 (7)	C1A—O1K^xxii	4.186 (6)
Si1I—O1L^xv	1.612 (7)	C1A—O2B^xxi	3.867 (7)
Si1I—O2C^vii	1.581 (8)	C1A—O2B^iv	3.867 (7)
Si1I—O3E	1.587 (7)	C1A—O2F^xxii	3.879 (8)
Si1I—C1Bⁱⁱⁱ	4.472 (2)	C1A—O2K^xxi	4.115 (8)
Si1I—C1C^iv	4.658 (11)	C1A—O2K^iv	4.115 (8)
Si1J—O1I	1.619 (7)	C1A—O2L^xxi	3.878 (7)
Si1J—O1Mⁱ	1.608 (7)	C1A—O2L^iv	3.878 (7)
Si1J—O2H	1.610 (8)	C1A—O4A^xvi	3.861 (8)
Si1J—O3A	1.593 (7)	C1A—O4A^xxiii	3.861 (8)
Si1J—C1Aⁱ	4.643 (2)	C1A—O4B^iv	3.639 (7)
Si1J—C1Bⁱⁱⁱ	4.540 (2)	C1A—O4B^xxi	3.639 (7)
Si1K—O1G	1.593 (7)	C1B—O1C^xxiv	4.103 (7)
Si1K—O1J	1.583 (7)	C1B—O1C^xiii	4.103 (7)
Si1K—O2I	1.588 (8)	C1B—O2A^xiii	3.802 (7)
Si1K—O3D	1.608 (7)	C1B—O2A^xxiv	3.802 (7)
Si1K—C1Bⁱⁱⁱ	4.5119 (19)	C1B—O2C^xxv	4.119 (8)
Si1K—C1Dⁱ	4.257 (2)	C1B—O2C^xi	4.119 (8)
Si1L—O1F^xii	1.578 (7)	C1B—O2I^xiii	4.283 (8)
Si1L—O1H	1.594 (7)	C1B—O2I^xxiv	4.283 (8)
Si1L—O2F	1.589 (8)	C1B—O2L^xxvi	4.009 (7)
Si1L—O3C^iv	1.606 (7)	C1B—O2L^xiv	4.009 (7)
Si1L—C1A	4.4027 (19)	C1B—O4A^xxiv	3.677 (8)
Si1L—C1D	4.365 (2)	C1B—O4A^xiii	3.677 (8)
Si2A—O2C	1.596 (8)	C1B—O4C^xi	3.991 (8)
Si2A—O2Kⁱ	1.572 (8)	C1B—O4D^xi	4.157 (7)
Si2A—O2Lⁱ	1.594 (8)	C1B—O4D^xxv	4.157 (7)
Si2A—O4C	1.581 (8)	C1C—O1A^iv	3.94 (2)
Si2A—C1A^x	4.348 (2)	C1C—O1B^iv	3.86 (2)
Si2A—C1B^ix	4.291 (2)	C1C—O2A^xxvii	4.136 (18)
Si2A—C1Cⁱ	4.3470 (17)	C1C—O2A^iv	4.136 (18)
Si2B—O2A	1.580 (8)	C1C—O2G^xxviii	3.704 (13)
Si2B—O2D	1.587 (8)	C1C—O2J^iv	3.874 (13)
Si2B—O2J	1.588 (7)	C1C—O2J^xxvii	3.874 (13)
Si2B—O4D^vii	1.599 (8)	C1C—O3B^xxix	4.178 (7)
Si2B—C1Bⁱⁱⁱ	4.3522 (16)	C1C—O3E^iv	4.176 (17)
Si2B—C1C^iv	4.292 (12)	C1C—O3E^xxvii	4.176 (17)
Si2B—C1Dⁱⁱⁱ	4.284 (2)	C1C—O3F^xxvii	4.215 (17)
Si2C—O2B	1.585 (8)	C1C—O3F^iv	4.215 (17)
Si2C—O2E	1.591 (8)	C1C—O4C^xvi	3.630 (8)
Si2C—O2G	1.570 (7)	C1C—O4C^xxx	3.630 (8)
Si2C—O4B	1.598 (8)	C1D—O1F^xxxi	4.068 (7)
Si2C—C1A^vi	4.2431 (16)	C1D—O1G^xvi	4.098 (7)
Si2C—C1C	4.320 (12)	C1D—O1G^xxiv	4.098 (7)
Si2C—C1D^vi	4.336 (2)	C1D—O2D^xiii	4.029 (8)
Si2D—O2F	1.590 (8)	C1D—O2D^xxii	4.029 (8)
Si2D—O2H^xvi	1.579 (7)	C1D—O2F^xxxii	3.983 (7)
Si2D—O2I^xvi	1.586 (8)	C1D—O2I^xvi	3.746 (7)
Si2D—O4A^xvi	1.602 (9)	C1D—O2I^xxiv	3.746 (7)
Si2D—C1A	4.309 (2)	C1D—O3D^xvi	4.174 (7)
Si2D—C1B^xvii	4.324 (2)	C1D—O3D^xxiv	4.174 (7)
Si2D—C1D	4.3001 (16)	C1D—O4B^xxi	4.032 (8)
Si3—O4A^xviii	1.595 (8)	C1D—O4B^xiv	4.032 (8)
Si3—O4B	1.571 (8)	C1D—O4D^xi	3.613 (8)
Si3—O4C^xvi	1.603 (9)	C1D—O4D^xxxiii	3.613 (8)
Si3—O4D^xvi	1.582 (8)	C2A—C2D^xxvii	1.21 (7)
Si3—C1A^vi	4.191 (2)	C2A—C2E^iv	0.71 (6)
Si3—C1B^xix	4.173 (2)	C2A—C2G^xi	1.54 (8)
Si3—C1C	4.2216 (19)	C2A—C2K	1.93 (8)
Si3—C1D^vi	4.2684 (18)	C2A—C2L	2.52 (10)
O1A—Si1B^xx	1.595 (2)	C2B—C2C^xxxiv	1.97 (14)
O1A—C1C^iv	3.94 (2)	C2B—C2F^xx	1.24 (6)
O1B—Si1C^xx	1.600 (2)	C2B—C2J	0.94 (6)
O1B—C1C^iv	3.86 (2)	C2C—C2B^xxxv	1.97 (14)
O1C—Si1E^vii	1.567 (7)	C2D—C2A^xxxi	1.21 (7)
O1C—C1Bⁱⁱⁱ	4.103 (7)	C2D—C2E^xx	1.60 (8)
O1D—Si1H^xv	1.608 (7)	C2D—C2G^xii	0.87 (8)
O1D—C1C^xi	4.403 (12)	C2E—C2A^iv	0.71 (6)
O1E—Si1E^viii	1.593 (6)	C2E—C2D^xx	1.60 (8)
O1F—Si1G^xv	1.606 (7)	C2E—C2F^xvi	1.65 (8)
O1F—Si1L^xv	1.578 (7)	C2E—C2G^xvii	1.95 (9)
O1F—C1D^xv	4.068 (7)	C2E—C2K^iv	1.73 (9)
O1G—C1Dⁱ	4.098 (7)	C2F—C2B^xx	1.24 (6)
O1H—C1A	4.368 (7)	C2F—C2Eⁱ	1.65 (8)
O1I—C1Bⁱⁱⁱ	4.505 (7)	C2F—C2J^xx	1.97 (6)
O1J—C1Bⁱⁱⁱ	4.368 (7)	C2F—C2K^vii	1.87 (7)
O1K—Si1A^xvi	1.595 (7)	C2F—C2L^vii	2.44 (9)
O1K—Si1D^iv	1.576 (7)	C2G—C2A^xi	1.54 (8)
O1K—C1A	4.186 (6)	C2G—C2D^xv	0.87 (8)
O1L—Si1I^xii	1.612 (7)	C2G—C2E^xxxvi	1.95 (9)
O1L—C1C^xiv	4.649 (12)	C2G—C2I^xv	1.29 (16)
O1M—Si1J^xvi	1.608 (7)	C2G—C2K^xi	2.00 (8)
O1M—C1A	4.615 (7)	C2G—C2L^xi	2.10 (10)
O2A—C1Bⁱⁱⁱ	3.802 (7)	C2H—C2J^xvi	1.70 (7)
O2A—C1C^iv	4.136 (18)	C2I—C2G^xii	1.29 (16)
O2B—Si1B^iv	1.597 (8)	C2I—C2J^xvi	2.08 (16)
O2B—C1A^vi	3.867 (7)	C2I—C2K^xxxi	1.55 (14)
O2B—C1C	4.365 (18)	C2I—C2L^xxxi	1.15 (15)
O2C—Si1I^vii	1.581 (8)	C2J—C2F^xx	1.97 (6)
O2C—C1B^ix	4.119 (8)	C2J—C2Hⁱ	1.70 (7)
O2C—C1Cⁱ	4.490 (9)	C2J—C2Iⁱ	2.09 (16)
O2D—Si1E^vii	1.599 (8)	C2J—C2K^xxxvii	2.28 (7)
O2D—C1Bⁱⁱⁱ	4.409 (7)	C2J—C2L^xxxvii	2.24 (9)
O2D—C1Dⁱⁱⁱ	4.029 (8)	C2K—C2E^iv	1.73 (9)
O2E—C1A^vi	4.423 (7)	C2K—C2F^vii	1.87 (7)
O2E—C1D^vi	3.947 (8)	C2K—C2G^xi	2.00 (8)
O2F—C1A	3.879 (8)	C2K—C2I^xxvii	1.55 (14)
O2F—C1D	3.983 (7)	C2K—C2J^xxxviii	2.28 (7)
O2G—Si1F^xi	1.620 (7)	C2K—C2L	0.80 (9)
O2G—C1C	3.704 (13)	C2L—C2F^vii	2.44 (9)
O2G—C1D^vi	4.279 (8)	C2L—C2G^xi	2.10 (10)
O2H—Si2Dⁱ	1.579 (7)	C2L—C2I^xxvii	1.15 (15)
O2H—C1Aⁱ	4.425 (8)	C2L—C2J^xxxviii	2.24 (9)

O1C—Si1A—O1Kⁱ	110.1 (4)	O2B^iv—C1A—O4B^xxi	139.99 (17)
O1C—Si1A—C1Aⁱ	172.6 (2)	O2B^xxi—C1A—O4B^iv	139.99 (17)
O1C—Si1A—C1Bⁱⁱⁱ	71.0 (2)	O2B^xxi—C1A—O4B^xxi	40.01 (17)
O1Kⁱ—Si1A—C1Aⁱ	73.7 (2)	O2B^iv—C1A—O4B^iv	40.01 (17)
O1Kⁱ—Si1A—C1Bⁱⁱⁱ	177.4 (3)	O2F^xxii—C1A—O1K^xxii	107.42 (14)
O2Lⁱⁱ—Si1A—O1C	110.0 (4)	O2F—C1A—O1K	107.42 (14)
O2Lⁱⁱ—Si1A—O1Kⁱ	109.8 (4)	O2F—C1A—O1K^xxii	72.58 (14)
O2Lⁱⁱ—Si1A—C1Aⁱ	62.6 (3)	O2F^xxii—C1A—O1K	72.58 (14)
O2Lⁱⁱ—Si1A—C1Bⁱⁱⁱ	67.6 (3)	O2F^xxii—C1A—O2F	180.0
O3A—Si1A—O1C	109.6 (4)	O2F—C1A—O2K^xxi	108.89 (15)
O3A—Si1A—O1Kⁱ	108.9 (4)	O2F^xxii—C1A—O2K^xxi	71.11 (15)
O3A—Si1A—O2Lⁱⁱ	108.4 (4)	O2F^xxii—C1A—O2K^iv	108.89 (15)
O3A—Si1A—C1Aⁱ	74.3 (2)	O2F—C1A—O2K^iv	71.11 (15)
O3A—Si1A—C1Bⁱⁱⁱ	72.6 (2)	O2F—C1A—O3F	61.30 (14)
C1Bⁱⁱⁱ—Si1A—C1Aⁱ	104.92 (4)	O2F^xxii—C1A—O3F	118.70 (14)
O1A—Si1B—O1M	108.7 (4)	O2K^iv—C1A—O2K^xxi	180.0
O1A—Si1B—O2B^iv	109.9 (3)	O2K^iv—C1A—O3F	37.00 (14)
O1A—Si1B—C1A	164.1 (3)	O2K^xxi—C1A—O3F	143.00 (14)
O1A—Si1B—C1C^iv	62.9 (4)	O2L^iv—C1A—O1K^xxii	37.38 (14)
O1M—Si1B—C1A	86.4 (2)	O2L^xxi—C1A—O1K^xxii	142.62 (14)
O1M—Si1B—C1C^iv	171.5 (3)	O2L^iv—C1A—O1K	142.62 (14)
O2B^iv—Si1B—O1M	107.1 (4)	O2L^xxi—C1A—O1K	37.38 (14)
O2B^iv—Si1B—C1A	59.3 (2)	O2L^xxi—C1A—O2F	88.17 (16)
O2B^iv—Si1B—C1C^iv	78.0 (3)	O2L^iv—C1A—O2F^xxii	88.17 (16)
O3F—Si1B—O1A	109.6 (3)	O2L^iv—C1A—O2F	91.83 (16)
O3F—Si1B—O1M	110.9 (3)	O2L^xxi—C1A—O2F^xxii	91.83 (16)
O3F—Si1B—O2B^iv	110.6 (4)	O2L^xxi—C1A—O2K^xxi	37.38 (15)
O3F—Si1B—C1A	67.6 (3)	O2L^xxi—C1A—O2K^iv	142.62 (15)
O3F—Si1B—C1C^iv	72.6 (2)	O2L^iv—C1A—O2K^xxi	142.62 (15)
C1C^iv—Si1B—C1A	102.05 (10)	O2L^iv—C1A—O2K^iv	37.38 (15)
O1B—Si1C—O2A	110.1 (3)	O2L^iv—C1A—O2L^xxi	180.00 (10)
O1B—Si1C—C1Bⁱⁱⁱ	166.3 (3)	O2L^iv—C1A—O3F	74.20 (15)
O1B—Si1C—C1C^iv	63.5 (4)	O2L^xxi—C1A—O3F	105.80 (15)
O1I—Si1C—O1B	108.1 (4)	O2L^xxi—C1A—O4B^iv	107.41 (16)
O1I—Si1C—O2A	109.3 (4)	O2L^iv—C1A—O4B^iv	72.59 (16)
O1I—Si1C—O3E	110.8 (3)	O2L^xxi—C1A—O4B^xxi	72.59 (16)
O1I—Si1C—C1Bⁱⁱⁱ	83.3 (3)	O2L^iv—C1A—O4B^xxi	107.41 (16)
O1I—Si1C—C1C^iv	171.5 (3)	O4A^xvi—C1A—O1K	82.16 (15)
O2A—Si1C—C1Bⁱⁱⁱ	57.8 (2)	O4A^xxiii—C1A—O1K^xxii	82.16 (15)
O2A—Si1C—C1C^iv	73.5 (3)	O4A^xvi—C1A—O1K^xxii	97.84 (15)
O3E—Si1C—O1B	109.7 (3)	O4A^xxiii—C1A—O1K	97.84 (15)
O3E—Si1C—O2A	108.8 (4)	O4A^xxiii—C1A—O2B^iv	79.16 (16)
O3E—Si1C—C1Bⁱⁱⁱ	71.7 (3)	O4A^xxiii—C1A—O2B^xxi	100.84 (16)
O3E—Si1C—C1C^iv	75.0 (3)	O4A^xvi—C1A—O2B^xxi	79.16 (16)
C1C^iv—Si1C—C1Bⁱⁱⁱ	104.73 (11)	O4A^xvi—C1A—O2B^iv	100.84 (16)
O1E—Si1D—O3C^v	110.1 (4)	O4A^xxiii—C1A—O2F^xxii	38.92 (17)
O1E—Si1D—C1A^vi	176.3 (3)	O4A^xvi—C1A—O2F	38.92 (17)
O1E—Si1D—C1D^vi	83.9 (3)	O4A^xxiii—C1A—O2F	141.08 (17)
O1K^iv—Si1D—O1E	109.3 (4)	O4A^xvi—C1A—O2F^xxii	141.08 (17)
O1K^iv—Si1D—O2E	109.4 (4)	O4A^xxiii—C1A—O2K^xxi	109.21 (16)
O1K^iv—Si1D—O3C^v	109.5 (3)	O4A^xvi—C1A—O2K^xxi	70.79 (16)
O1K^iv—Si1D—C1A^vi	68.3 (2)	O4A^xvi—C1A—O2K^iv	109.21 (16)
O1K^iv—Si1D—C1D^vi	164.7 (3)	O4A^xxiii—C1A—O2K^iv	70.79 (16)
O2E—Si1D—O1E	106.7 (4)	O4A^xxiii—C1A—O2L^iv	51.91 (17)
O2E—Si1D—O3C^v	111.7 (4)	O4A^xvi—C1A—O2L^xxi	51.91 (17)
O2E—Si1D—C1A^vi	76.9 (2)	O4A^xxiii—C1A—O2L^xxi	128.09 (17)
O2E—Si1D—C1D^vi	57.9 (3)	O4A^xvi—C1A—O2L^iv	128.09 (17)
O3C^v—Si1D—C1A^vi	68.7 (2)	O4A^xvi—C1A—O3F	88.29 (16)
O3C^v—Si1D—C1D^vi	71.3 (2)	O4A^xxiii—C1A—O3F	91.71 (16)
C1A^vi—Si1D—C1D^vi	98.82 (4)	O4A^xxiii—C1A—O4A^xvi	180.0
O1C^vii—Si1E—O1E^viii	109.3 (4)	O4A^xxiii—C1A—O4B^xxi	140.53 (17)
O1C^vii—Si1E—C1B^ix	66.4 (2)	O4A^xvi—C1A—O4B^xxi	39.47 (17)
O1C^vii—Si1E—C1D^x	165.4 (3)	O4A^xvi—C1A—O4B^iv	140.53 (17)
O1E^viii—Si1E—C1B^ix	175.1 (3)	O4A^xxiii—C1A—O4B^iv	39.47 (17)
O1E^viii—Si1E—C1D^x	84.8 (3)	O4B^xxi—C1A—O1K^xxii	70.11 (15)
O2D^vii—Si1E—O1C^vii	109.3 (4)	O4B^xxi—C1A—O1K	109.89 (15)
O2D^vii—Si1E—O1E^viii	106.6 (4)	O4B^iv—C1A—O1K^xxii	109.89 (15)
O2D^vii—Si1E—C1B^ix	77.5 (3)	O4B^iv—C1A—O1K	70.11 (15)
O2D^vii—Si1E—C1D^x	61.7 (3)	O4B^xxi—C1A—O2F	55.19 (17)
O3D^vi—Si1E—O1C^vii	109.5 (3)	O4B^iv—C1A—O2F^xxii	55.19 (17)
O3D^vi—Si1E—O1E^viii	110.8 (4)	O4B^xxi—C1A—O2F^xxii	124.81 (17)
O3D^vi—Si1E—O2D^vii	111.2 (4)	O4B^iv—C1A—O2F	124.81 (17)
O3D^vi—Si1E—C1B^ix	69.5 (2)	O4B^iv—C1A—O2K^iv	64.86 (16)
O3D^vi—Si1E—C1D^x	66.8 (2)	O4B^iv—C1A—O2K^xxi	115.14 (16)
C1B^ix—Si1E—C1D^x	99.63 (4)	O4B^xxi—C1A—O2K^xxi	64.86 (16)
O1D—Si1F—O2G^xi	109.3 (4)	O4B^xxi—C1A—O2K^iv	115.14 (16)
O1D—Si1F—C1C^xi	82.1 (3)	O4B^xxi—C1A—O3F	116.49 (16)
O1D—Si1F—C1Dⁱ	174.6 (3)	O4B^iv—C1A—O3F	63.51 (16)
O1G—Si1F—O1D	107.7 (4)	O4B^iv—C1A—O4B^xxi	180.0 (2)
O1G—Si1F—O2G^xi	109.2 (4)	O1C^xxiv—C1B—O1C^xiii	180.0
O1G—Si1F—O3Bⁱ	111.1 (4)	O1C^xiii—C1B—O4C^xi	105.34 (15)
O1G—Si1F—C1C^xi	165.7 (3)	O1C^xxiv—C1B—O4C^xi	74.66 (15)
O1G—Si1F—C1Dⁱ	66.9 (3)	O2A^xiii—C1B—O1C^xiii	59.58 (15)
O2G^xi—Si1F—C1C^xi	56.9 (3)	O2A^xxiv—C1B—O1C^xiii	120.42 (15)
O2G^xi—Si1F—C1Dⁱ	73.4 (3)	O2A^xiii—C1B—O1C^xxiv	120.42 (15)
O3Bⁱ—Si1F—O1D	109.2 (4)	O2A^xxiv—C1B—O1C^xxiv	59.58 (15)
O3Bⁱ—Si1F—O2G^xi	110.2 (4)	O2A^xxiv—C1B—O2A^xiii	180.0
O3Bⁱ—Si1F—C1C^xi	73.9 (4)	O2A^xiii—C1B—O2C^xxv	115.66 (15)
O3Bⁱ—Si1F—C1Dⁱ	73.5 (3)	O2A^xiii—C1B—O2C^xi	64.34 (15)
C1C^xi—Si1F—C1Dⁱ	103.17 (12)	O2A^xxiv—C1B—O2C^xxv	64.34 (15)
O1F^xii—Si1G—C1C^xiv	163.8 (2)	O2A^xxiv—C1B—O2C^xi	115.66 (15)
O1F^xii—Si1G—C1D	64.6 (2)	O2A^xiii—C1B—O2I^xxiv	86.46 (15)
O1L—Si1G—O1F^xii	108.6 (4)	O2A^xxiv—C1B—O2I^xxiv	93.54 (15)
O1L—Si1G—C1C^xiv	86.5 (3)	O2A^xiii—C1B—O2I^xiii	93.54 (15)
O1L—Si1G—C1D	173.0 (3)	O2A^xxiv—C1B—O2I^xiii	86.46 (15)
O2J^xiii—Si1G—O1F^xii	109.7 (4)	O2A^xxiv—C1B—O2L^xxvi	89.66 (16)
O2J^xiii—Si1G—O1L	107.9 (4)	O2A^xxiv—C1B—O2L^xiv	90.34 (16)
O2J^xiii—Si1G—O3B	111.5 (4)	O2A^xiii—C1B—O2L^xiv	89.66 (15)
O2J^xiii—Si1G—C1C^xiv	58.4 (3)	O2A^xiii—C1B—O2L^xxvi	90.34 (16)
O2J^xiii—Si1G—C1D	76.8 (3)	O2A^xxiv—C1B—O4C^xi	126.27 (16)
O3B—Si1G—O1F^xii	109.3 (4)	O2A^xiii—C1B—O4C^xi	53.73 (16)
O3B—Si1G—O1L	109.9 (4)	O2A^xiii—C1B—O4D^xi	38.03 (16)
O3B—Si1G—C1C^xiv	69.4 (4)	O2A^xxiv—C1B—O4D^xxv	38.03 (16)
O3B—Si1G—C1D	72.2 (3)	O2A^xxiv—C1B—O4D^xi	141.97 (16)
C1C^xiv—Si1G—C1D	100.42 (12)	O2A^xiii—C1B—O4D^xxv	141.97 (16)
O1D^xii—Si1H—C1A	176.0 (3)	O2C^xi—C1B—O1C^xxiv	56.36 (13)
O1D^xii—Si1H—C1C^iv	75.7 (2)	O2C^xxv—C1B—O1C^xxiv	123.64 (13)
O1H—Si1H—O1D^xii	106.8 (4)	O2C^xxv—C1B—O1C^xiii	56.36 (13)
O1H—Si1H—C1A	77.3 (3)	O2C^xi—C1B—O1C^xiii	123.64 (13)
O1H—Si1H—C1C^iv	177.3 (3)	O2C^xi—C1B—O2C^xxv	180.0
O2K^iv—Si1H—O1D^xii	109.8 (4)	O2C^xxv—C1B—O4C^xi	143.07 (16)
O2K^iv—Si1H—O1H	108.0 (4)	O2C^xi—C1B—O4C^xi	36.93 (16)
O2K^iv—Si1H—O3F	110.6 (4)	O2I^xxiv—C1B—O1C^xiii	71.85 (14)
O2K^iv—Si1H—C1A	68.1 (3)	O2I^xiii—C1B—O1C^xxiv	71.85 (14)
O2K^iv—Si1H—C1C^iv	70.0 (3)	O2I^xxiv—C1B—O1C^xxiv	108.15 (14)
O3F—Si1H—O1D^xii	110.9 (3)	O2I^xiii—C1B—O1C^xiii	108.15 (14)
O3F—Si1H—O1H	110.7 (4)	O2I^xxiv—C1B—O2C^xxv	69.43 (15)
O3F—Si1H—C1A	67.5 (3)	O2I^xiii—C1B—O2C^xxv	110.57 (15)
O3F—Si1H—C1C^iv	69.0 (3)	O2I^xiii—C1B—O2C^xi	69.43 (15)
C1A—Si1H—C1C^iv	100.29 (5)	O2I^xxiv—C1B—O2C^xi	110.57 (15)
O1J—Si1I—O1L^xv	106.5 (4)	O2I^xxiv—C1B—O2I^xiii	180.0
O1J—Si1I—C1Bⁱⁱⁱ	75.9 (3)	O2I^xiii—C1B—O4C^xi	105.59 (16)
O1J—Si1I—C1C^iv	172.2 (3)	O2I^xxiv—C1B—O4C^xi	74.41 (16)
O1L^xv—Si1I—C1Bⁱⁱⁱ	177.2 (3)	O2L^xxvi—C1B—O1C^xiii	37.45 (14)
O1L^xv—Si1I—C1C^iv	79.7 (2)	O2L^xiv—C1B—O1C^xxiv	37.45 (14)
O2C^vii—Si1I—O1J	107.2 (4)	O2L^xiv—C1B—O1C^xiii	142.55 (14)
O2C^vii—Si1I—O1L^xv	110.8 (4)	O2L^xxvi—C1B—O1C^xxiv	142.55 (14)
O2C^vii—Si1I—O3E	111.4 (4)	O2L^xiv—C1B—O2C^xi	37.23 (15)
O2C^vii—Si1I—C1Bⁱⁱⁱ	66.9 (3)	O2L^xiv—C1B—O2C^xxv	142.77 (15)
O2C^vii—Si1I—C1C^iv	74.1 (3)	O2L^xxvi—C1B—O2C^xi	142.77 (15)
O3E—Si1I—O1J	110.2 (4)	O2L^xxvi—C1B—O2C^xxv	37.23 (15)
O3E—Si1I—O1L^xv	110.5 (3)	O2L^xiv—C1B—O2I^xxiv	86.53 (15)
O3E—Si1I—C1Bⁱⁱⁱ	69.4 (3)	O2L^xiv—C1B—O2I^xiii	93.47 (15)
O3E—Si1I—C1C^iv	62.7 (3)	O2L^xxvi—C1B—O2I^xxiv	93.47 (15)
C1Bⁱⁱⁱ—Si1I—C1C^iv	97.95 (5)	O2L^xxvi—C1B—O2I^xiii	86.53 (15)
O1I—Si1J—C1Aⁱ	175.0 (3)	O2L^xiv—C1B—O2L^xxvi	180.0
O1I—Si1J—C1Bⁱⁱⁱ	78.5 (2)	O2L^xxvi—C1B—O4C^xi	142.01 (15)
O1Mⁱ—Si1J—O1I	105.4 (4)	O2L^xiv—C1B—O4C^xi	37.99 (15)
O1Mⁱ—Si1J—O2H	109.4 (4)	O2L^xiv—C1B—O4D^xi	72.93 (15)
O1Mⁱ—Si1J—O3A	111.2 (4)	O2L^xxvi—C1B—O4D^xxv	72.93 (15)
O1Mⁱ—Si1J—C1Aⁱ	79.0 (2)	O2L^xxvi—C1B—O4D^xi	107.07 (15)
O1Mⁱ—Si1J—C1Bⁱⁱⁱ	175.9 (3)	O2L^xiv—C1B—O4D^xxv	107.07 (15)
O2H—Si1J—O1I	107.9 (4)	O4A^xxiv—C1B—O1C^xiii	96.37 (16)
O2H—Si1J—C1Aⁱ	72.2 (3)	O4A^xiii—C1B—O1C^xiii	83.63 (16)
O2H—Si1J—C1Bⁱⁱⁱ	70.1 (3)	O4A^xxiv—C1B—O1C^xxiv	83.63 (16)
O3A—Si1J—O1I	111.7 (4)	O4A^xiii—C1B—O1C^xxiv	96.37 (16)
O3A—Si1J—O2H	111.0 (4)	O4A^xiii—C1B—O2A^xxiv	74.89 (17)
O3A—Si1J—C1Aⁱ	64.1 (2)	O4A^xxiv—C1B—O2A^xxiv	105.11 (17)
O3A—Si1J—C1Bⁱⁱⁱ	65.7 (2)	O4A^xiii—C1B—O2A^xiii	105.11 (17)
C1Bⁱⁱⁱ—Si1J—C1Aⁱ	97.04 (4)	O4A^xxiv—C1B—O2A^xiii	74.89 (17)
O1G—Si1K—C1Bⁱⁱⁱ	176.0 (2)	O4A^xxiv—C1B—O2C^xxv	106.31 (17)
O1G—Si1K—C1Dⁱ	73.4 (2)	O4A^xiii—C1B—O2C^xxv	73.69 (17)
O1J—Si1K—O1G	108.9 (4)	O4A^xxiv—C1B—O2C^xi	73.69 (17)
O1J—Si1K—C1Bⁱⁱⁱ	74.6 (3)	O4A^xiii—C1B—O2C^xi	106.31 (17)
O1J—Si1K—C1Dⁱ	170.6 (3)	O4A^xxiv—C1B—O2I^xiii	142.74 (17)
O2I—Si1K—O1G	108.3 (4)	O4A^xiii—C1B—O2I^xiii	37.26 (17)
O2I—Si1K—O1J	110.2 (4)	O4A^xxiv—C1B—O2I^xxiv	37.26 (17)
O2I—Si1K—O3D	109.9 (4)	O4A^xiii—C1B—O2I^xxiv	142.74 (17)
O2I—Si1K—C1Bⁱⁱⁱ	71.5 (3)	O4A^xxiv—C1B—O2L^xxvi	127.93 (17)
O2I—Si1K—C1Dⁱ	60.7 (2)	O4A^xiii—C1B—O2L^xxvi	52.07 (17)
O3D—Si1K—O1G	108.5 (3)	O4A^xxiv—C1B—O2L^xiv	52.07 (17)
O3D—Si1K—O1J	111.0 (4)	O4A^xiii—C1B—O2L^xiv	127.93 (17)
O3D—Si1K—C1Bⁱⁱⁱ	68.1 (2)	O4A^xxiv—C1B—O4A^xiii	180.0
O3D—Si1K—C1Dⁱ	76.1 (2)	O4A^xiii—C1B—O4C^xi	140.70 (18)
C1Dⁱ—Si1K—C1Bⁱⁱⁱ	103.32 (4)	O4A^xxiv—C1B—O4C^xi	39.30 (18)
O1F^xii—Si1L—O1H	109.0 (4)	O4A^xiii—C1B—O4D^xi	142.02 (17)
O1F^xii—Si1L—O2F	111.2 (4)	O4A^xiii—C1B—O4D^xxv	37.98 (17)
O1F^xii—Si1L—O3C^iv	109.2 (3)	O4A^xxiv—C1B—O4D^xxv	142.02 (17)
O1F^xii—Si1L—C1A	171.1 (3)	O4A^xxiv—C1B—O4D^xi	37.98 (17)
O1F^xii—Si1L—C1D	68.8 (3)	O4D^xi—C1B—O1C^xiii	69.64 (14)
O1H—Si1L—O2F	110.1 (4)	O4D^xi—C1B—O1C^xxiv	110.36 (14)
O1H—Si1L—O3C^iv	109.3 (4)	O4D^xxv—C1B—O1C^xxiv	69.64 (14)
O1H—Si1L—C1A	78.3 (3)	O4D^xxv—C1B—O1C^xiii	110.36 (14)
O1H—Si1L—C1D	172.9 (3)	O4D^xi—C1B—O2C^xxv	109.74 (15)
O2F—Si1L—C1A	60.6 (3)	O4D^xxv—C1B—O2C^xi	109.74 (15)
O2F—Si1L—C1D	65.7 (2)	O4D^xi—C1B—O2C^xi	70.26 (15)
O3C^iv—Si1L—O2F	108.1 (4)	O4D^xxv—C1B—O2C^xxv	70.26 (15)
O3C^iv—Si1L—C1A	72.0 (2)	O4D^xxv—C1B—O2I^xxiv	127.45 (15)
O3C^iv—Si1L—C1D	77.7 (2)	O4D^xi—C1B—O2I^xiii	127.45 (15)
C1D—Si1L—C1A	103.39 (4)	O4D^xxv—C1B—O2I^xiii	52.55 (15)
O2C—Si2A—O2Kⁱ	110.3 (4)	O4D^xi—C1B—O2I^xxiv	52.55 (15)
O2C—Si2A—O2Lⁱ	109.0 (4)	O4D^xi—C1B—O4C^xi	37.47 (16)
O2C—Si2A—C1A^x	170.7 (3)	O4D^xxv—C1B—O4C^xi	142.53 (16)
O2C—Si2A—C1B^ix	73.0 (3)	O4D^xi—C1B—O4D^xxv	180.00 (15)
O2C—Si2A—C1Cⁱ	84.7 (3)	O1A^iv—C1C—O1B^iv	180.0
O2Kⁱ—Si2A—C1A^x	71.0 (3)	O1A^iv—C1C—O2A^iv	141.9 (2)
O2Kⁱ—Si2A—C1B^ix	176.6 (3)	O1A^iv—C1C—O2A^xxvii	141.9 (2)
O2Kⁱ—Si2A—C1Cⁱ	75.7 (3)	O1A^iv—C1C—O2J^xxvii	123.3 (3)
O2Lⁱ—Si2A—O2Kⁱ	108.6 (4)	O1A^iv—C1C—O2J^iv	123.3 (3)
O2Lⁱ—Si2A—C1A^x	62.5 (3)	O1A^iv—C1C—O3B^xxix	90.4 (3)
O2Lⁱ—Si2A—C1B^ix	69.1 (3)	O1A^iv—C1C—O3E^xxvii	142.27 (19)
O2Lⁱ—Si2A—C1Cⁱ	162.2 (3)	O1A^iv—C1C—O3E^iv	142.27 (19)
O4C—Si2A—O2C	108.1 (4)	O1A^iv—C1C—O3F^xxvii	36.99 (19)
O4C—Si2A—O2Kⁱ	110.7 (4)	O1A^iv—C1C—O3F^iv	36.99 (19)
O4C—Si2A—O2Lⁱ	110.2 (4)	O1B^iv—C1C—O2A^xxvii	38.1 (2)
O4C—Si2A—C1A^x	79.4 (3)	O1B^iv—C1C—O2A^iv	38.1 (2)
O4C—Si2A—C1B^ix	68.4 (3)	O1B^iv—C1C—O2J^xxvii	56.7 (3)
O4C—Si2A—C1Cⁱ	53.3 (3)	O1B^iv—C1C—O2J^iv	56.7 (3)
C1A^x—Si2A—C1Cⁱ	104.4 (2)	O1B^iv—C1C—O3B^xxix	89.6 (3)
C1B^ix—Si2A—C1A^x	105.57 (4)	O1B^iv—C1C—O3E^xxvii	37.73 (19)
C1B^ix—Si2A—C1Cⁱ	105.8 (2)	O1B^iv—C1C—O3E^iv	37.73 (19)
O2A—Si2B—O2D	111.4 (4)	O1B^iv—C1C—O3F^iv	143.01 (19)
O2A—Si2B—C1Bⁱⁱⁱ	59.5 (3)	O1B^iv—C1C—O3F^xxvii	143.01 (19)
O2A—Si2B—C1C^iv	73.7 (3)	O2A^xxvii—C1C—O2A^iv	76.3 (4)
O2A—Si2B—C1Dⁱⁱⁱ	163.6 (3)	O2A^xxvii—C1C—O2J^iv	85.9 (4)
O2D—Si2B—C1Bⁱⁱⁱ	81.6 (2)	O2A^iv—C1C—O2J^xxvii	85.9 (4)
O2D—Si2B—C1C^iv	172.7 (3)	O2A^iv—C1C—O2J^iv	37.64 (19)
O2D—Si2B—C1Dⁱⁱⁱ	70.1 (3)	O2A^xxvii—C1C—O2J^xxvii	37.64 (19)
O2J—Si2B—O2A	110.1 (4)	O2A^xxvii—C1C—O3B^xxix	75.1 (2)
O2J—Si2B—O2D	108.7 (4)	O2A^iv—C1C—O3B^xxix	104.3 (3)
O2J—Si2B—C1Bⁱⁱⁱ	168.2 (3)	O2A^iv—C1C—O3E^xxvii	63.9 (3)
O2J—Si2B—C1C^iv	64.2 (3)	O2A^iv—C1C—O3E^iv	36.5 (2)
O2J—Si2B—C1Dⁱⁱⁱ	83.9 (3)	O2A^xxvii—C1C—O3E^iv	63.9 (3)
O4D^vii—Si2B—O2A	110.7 (4)	O2A^xxvii—C1C—O3E^xxvii	36.5 (2)
O4D^vii—Si2B—O2D	107.0 (4)	O2A^xxvii—C1C—O3F^xxvii	115.77 (14)
O4D^vii—Si2B—O2J	109.0 (4)	O2A^iv—C1C—O3F^xxvii	145.26 (14)
O4D^vii—Si2B—C1Bⁱⁱⁱ	72.4 (3)	O2A^iv—C1C—O3F^iv	115.77 (14)
O4D^vii—Si2B—C1C^iv	75.1 (4)	O2A^xxvii—C1C—O3F^iv	145.26 (14)
O4D^vii—Si2B—C1Dⁱⁱⁱ	55.0 (3)	O2G^xxviii—C1C—O1A^iv	59.3 (3)
C1C^iv—Si2B—C1Bⁱⁱⁱ	105.67 (4)	O2G—C1C—O1A^iv	59.3 (3)
C1Dⁱⁱⁱ—Si2B—C1Bⁱⁱⁱ	105.61 (4)	O2G^xxviii—C1C—O1B^iv	120.7 (3)
C1Dⁱⁱⁱ—Si2B—C1C^iv	106.7 (2)	O2G—C1C—O1B^iv	120.7 (3)
O2B—Si2C—O2E	109.3 (4)	O2G—C1C—O2A^xxvii	142.6 (3)
O2B—Si2C—O2G	111.0 (4)	O2G—C1C—O2A^iv	90.47 (18)
O2B—Si2C—O4B	108.1 (4)	O2G^xxviii—C1C—O2A^xxvii	90.47 (18)
O2B—Si2C—C1A^vi	65.6 (3)	O2G^xxviii—C1C—O2A^iv	142.6 (3)
O2B—Si2C—C1C	81.1 (3)	O2G—C1C—O2G^xxviii	118.6 (6)
O2B—Si2C—C1D^vi	171.4 (3)	O2G—C1C—O2J^xxvii	176.0 (4)
O2E—Si2C—O2G	110.2 (4)	O2G^xxviii—C1C—O2J^iv	176.0 (4)
O2E—Si2C—O4B	106.3 (4)	O2G^xxviii—C1C—O2J^xxvii	64.09 (17)
O2E—Si2C—C1A^vi	85.9 (2)	O2G—C1C—O2J^iv	64.09 (17)
O2E—Si2C—C1C	166.4 (3)	O2G—C1C—O3B^xxix	142.3 (4)
O2E—Si2C—C1D^vi	65.3 (3)	O2G^xxviii—C1C—O3B^xxix	38.39 (14)
O2G—Si2C—C1A^vi	163.3 (3)	O2G—C1C—O3E^xxvii	106.33 (19)
O2G—Si2C—C1C	56.9 (3)	O2G—C1C—O3E^iv	121.7 (2)
O2G—Si2C—C1D^vi	77.5 (3)	O2G^xxviii—C1C—O3E^xxvii	121.7 (2)
O4B—Si2C—O2G	111.6 (4)	O2G^xxviii—C1C—O3E^iv	106.33 (19)
O4B—Si2C—C1A^vi	57.4 (3)	O2G^xxviii—C1C—O3F^iv	59.7 (3)
O4B—Si2C—C1C	77.4 (3)	O2G—C1C—O3F^iv	71.9 (3)
O4B—Si2C—C1D^vi	68.4 (3)	O2G—C1C—O3F^xxvii	59.7 (3)
C1A^vi—Si2C—C1C	106.72 (4)	O2G^xxviii—C1C—O3F^xxvii	71.9 (3)
C1A^vi—Si2C—C1D^vi	106.62 (4)	O2J^xxvii—C1C—O2J^iv	113.4 (5)
C1C—Si2C—C1D^vi	105.3 (2)	O2J^iv—C1C—O3B^xxix	141.3 (5)
O2F—Si2D—O2H^xvi	112.0 (4)	O2J^xxvii—C1C—O3B^xxix	37.95 (14)
O2F—Si2D—O2I^xvi	109.1 (4)	O2J^xxvii—C1C—O3E^xxvii	73.5 (3)
O2F—Si2D—O4A^xvi	107.8 (4)	O2J^iv—C1C—O3E^iv	73.5 (3)
O2F—Si2D—C1A	63.8 (3)	O2J^xxvii—C1C—O3E^iv	54.3 (2)
O2F—Si2D—C1B^xvii	163.7 (3)	O2J^iv—C1C—O3E^xxvii	54.3 (2)
O2F—Si2D—C1D	67.9 (2)	O2J^xxvii—C1C—O3F^iv	108.27 (17)
O2H^xvi—Si2D—O4A^xvi	107.0 (4)	O2J^xxvii—C1C—O3F^xxvii	124.3 (2)
O2H^xvi—Si2D—C1A	83.8 (3)	O2J^iv—C1C—O3F^xxvii	108.27 (17)
O2H^xvi—Si2D—C1B^xvii	77.4 (3)	O2J^iv—C1C—O3F^iv	124.3 (2)
O2H^xvi—Si2D—C1D	167.9 (3)	O3E^xxvii—C1C—O3B^xxix	111.3 (3)
O2I^xvi—Si2D—O2H^xvi	111.1 (4)	O3E^iv—C1C—O3B^xxix	68.0 (2)
O2I^xvi—Si2D—O4A^xvi	109.7 (4)	O3E^xxvii—C1C—O3E^iv	75.5 (4)
O2I^xvi—Si2D—C1A	165.1 (3)	O3F^iv—C1C—O3B^xxix	70.4 (2)
O2I^xvi—Si2D—C1B^xvii	77.9 (3)	O3F^xxvii—C1C—O3B^xxix	110.3 (3)
O2I^xvi—Si2D—C1D	59.3 (3)	O3F^xxvii—C1C—O3E^xxvii	105.30 (14)
O4A^xvi—Si2D—C1A	63.2 (3)	O3F^iv—C1C—O3E^xxvii	178.2 (2)
O4A^xvi—Si2D—C1B^xvii	56.0 (3)	O3F^iv—C1C—O3E^iv	105.30 (14)
O4A^xvi—Si2D—C1D	84.0 (3)	O3F^xxvii—C1C—O3E^iv	178.2 (2)
C1B^xvii—Si2D—C1A	105.68 (4)	O3F^xxvii—C1C—O3F^iv	74.0 (4)
C1D—Si2D—C1A	106.10 (4)	O4C^xvi—C1C—O1A^iv	93.7 (3)
C1D—Si2D—C1B^xvii	105.83 (4)	O4C^xxx—C1C—O1A^iv	93.7 (3)
O4A^xviii—Si3—O4B	106.8 (4)	O4C^xvi—C1C—O1B^iv	86.3 (3)
O4A^xviii—Si3—O4D^xvi	109.2 (4)	O4C^xxx—C1C—O1B^iv	86.3 (3)
O4A^xviii—Si3—C1A^vi	67.1 (3)	O4C^xxx—C1C—O2A^xxvii	53.5 (2)
O4A^xviii—Si3—C1B^xix	61.1 (3)	O4C^xvi—C1C—O2A^iv	53.5 (2)
O4A^xviii—Si3—C1C	166.3 (3)	O4C^xxx—C1C—O2A^iv	119.6 (5)
O4A^xviii—Si3—C1D^vi	85.2 (3)	O4C^xvi—C1C—O2A^xxvii	119.6 (5)
O4B—Si3—C1A^vi	58.9 (3)	O4C^xvi—C1C—O2G	75.0 (2)
O4B—Si3—C1B^xix	167.5 (3)	O4C^xvi—C1C—O2G^xxviii	108.9 (3)
O4B—Si3—C1C	81.0 (4)	O4C^xxx—C1C—O2G	108.9 (3)
O4B—Si3—C1D^vi	70.7 (3)	O4C^xxx—C1C—O2G^xxviii	75.0 (2)
O4C^xvi—Si3—O4A^xviii	108.5 (4)	O4C^xvi—C1C—O2J^xxvii	101.4 (3)
O4C^xvi—Si3—O4B	111.4 (4)	O4C^xxx—C1C—O2J^xxvii	74.4 (2)
O4C^xvi—Si3—O4D^xvi	110.8 (4)	O4C^xvi—C1C—O2J^iv	74.4 (2)
O4C^xvi—Si3—C1A^vi	84.6 (3)	O4C^xxx—C1C—O2J^iv	101.4 (3)
O4C^xvi—Si3—C1B^xix	72.4 (3)	O4C^xvi—C1C—O3B^xxix	86.11 (17)
O4C^xvi—Si3—C1C	57.8 (3)	O4C^xxx—C1C—O3B^xxix	93.84 (17)
O4C^xvi—Si3—C1D^vi	164.1 (3)	O4C^xxx—C1C—O3E^iv	117.4 (5)
O4D^xvi—Si3—O4B	110.0 (4)	O4C^xxx—C1C—O3E^xxvii	55.9 (2)
O4D^xvi—Si3—C1A^vi	164.2 (3)	O4C^xvi—C1C—O3E^xxvii	117.4 (5)
O4D^xvi—Si3—C1B^xix	78.5 (3)	O4C^xvi—C1C—O3E^iv	55.9 (2)
O4D^xvi—Si3—C1C	77.6 (4)	O4C^xvi—C1C—O3F^xxvii	124.6 (4)
O4D^xvi—Si3—C1D^vi	55.4 (3)	O4C^xvi—C1C—O3F^iv	62.3 (2)
C1A^vi—Si3—C1C	109.5 (2)	O4C^xxx—C1C—O3F^xxvii	62.3 (2)
C1A^vi—Si3—C1D^vi	108.83 (4)	O4C^xxx—C1C—O3F^iv	124.6 (5)
C1B^xix—Si3—C1A^vi	110.68 (4)	O4C^xxx—C1C—O4C^xvi	172.7 (7)
C1B^xix—Si3—C1C	110.3 (2)	O1G^xxiv—C1D—O1F^xxxi	64.13 (14)
C1B^xix—Si3—C1D^vi	109.18 (4)	O1G^xvi—C1D—O1F^xxxi	115.87 (14)
C1C—Si3—C1D^vi	108.27 (3)	O1G^xxiv—C1D—O1G^xvi	180.00 (19)
Si1B^xx—O1A—Si1B	167.9 (7)	O1G^xxiv—C1D—O3D^xxiv	36.60 (14)
Si1B—O1A—C1C^iv	96.0 (4)	O1G^xvi—C1D—O3D^xvi	36.60 (14)
Si1B^xx—O1A—C1C^iv	96.0 (4)	O1G^xxiv—C1D—O3D^xvi	143.40 (14)
Si1C^xx—O1B—Si1C	170.7 (7)	O1G^xvi—C1D—O3D^xxiv	143.40 (14)
Si1C—O1B—C1C^iv	94.7 (4)	O2D^xiii—C1D—O1F^xxxi	125.57 (13)
Si1C^xx—O1B—C1C^iv	94.7 (4)	O2D^xxii—C1D—O1F^xxxi	54.43 (13)
Si1A—O1C—Si1E^vii	178.7 (6)	O2D^xiii—C1D—O1G^xxiv	73.54 (14)
Si1A—O1C—C1Bⁱⁱⁱ	87.4 (2)	O2D^xxii—C1D—O1G^xxiv	106.46 (15)
Si1E^vii—O1C—C1Bⁱⁱⁱ	93.1 (3)	O2D^xxii—C1D—O1G^xvi	73.54 (15)
Si1F—O1D—Si1H^xv	160.5 (5)	O2D^xiii—C1D—O1G^xvi	106.46 (15)
Si1F—O1D—C1C^xi	76.9 (3)	O2D^xxii—C1D—O2D^xiii	180.0
Si1H^xv—O1D—C1C^xi	83.6 (3)	O2D^xiii—C1D—O3D^xxiv	37.18 (14)
Si1E^viii—O1E—Si1D	151.3 (5)	O2D^xxii—C1D—O3D^xxiv	142.82 (15)
Si1G^xv—O1F—C1D^xv	94.5 (3)	O2D^xxii—C1D—O3D^xvi	37.18 (14)
Si1L^xv—O1F—Si1G^xv	174.3 (5)	O2D^xiii—C1D—O3D^xvi	142.82 (15)
Si1L^xv—O1F—C1D^xv	90.1 (3)	O2F^xxxii—C1D—O1F^xxxi	37.86 (15)
Si1F—O1G—Si1K	166.3 (5)	O2F—C1D—O1F^xxxi	142.14 (15)
Si1F—O1G—C1Dⁱ	92.1 (3)	O2F^xxxii—C1D—O1G^xxiv	67.68 (14)
Si1K—O1G—C1Dⁱ	84.7 (3)	O2F^xxxii—C1D—O1G^xvi	112.32 (14)
Si1H—O1H—C1A	82.0 (3)	O2F—C1D—O1G^xxiv	112.32 (14)
Si1L—O1H—Si1H	162.3 (5)	O2F—C1D—O1G^xvi	67.68 (14)
Si1L—O1H—C1A	80.7 (3)	O2F^xxxii—C1D—O2D^xxii	84.41 (14)
Si1C—O1I—Si1J	157.1 (5)	O2F—C1D—O2D^xiii	84.41 (14)
Si1C—O1I—C1Bⁱⁱⁱ	76.2 (2)	O2F^xxxii—C1D—O2D^xiii	95.59 (14)
Si1J—O1I—C1Bⁱⁱⁱ	80.9 (2)	O2F—C1D—O2D^xxii	95.59 (14)
Si1I—O1J—C1Bⁱⁱⁱ	83.3 (3)	O2F—C1D—O2F^xxxii	180.0 (2)
Si1K—O1J—Si1I	163.5 (5)	O2F^xxxii—C1D—O2I^xvi	141.03 (17)
Si1K—O1J—C1Bⁱⁱⁱ	84.9 (3)	O2F^xxxii—C1D—O2I^xxiv	38.97 (17)
Si1A^xvi—O1K—C1A	84.8 (2)	O2F—C1D—O2I^xvi	38.97 (17)
Si1D^iv—O1K—Si1A^xvi	170.0 (5)	O2F—C1D—O2I^xxiv	141.03 (17)
Si1D^iv—O1K—C1A	91.2 (3)	O2F^xxxii—C1D—O3D^xvi	103.18 (14)
Si1G—O1L—Si1I^xii	153.6 (5)	O2F^xxxii—C1D—O3D^xxiv	76.82 (14)
Si1G—O1L—C1C^xiv	73.5 (2)	O2F—C1D—O3D^xxiv	103.18 (14)
Si1I^xii—O1L—C1C^xiv	80.4 (3)	O2F—C1D—O3D^xvi	76.82 (14)
Si1B—O1M—C1A	73.4 (2)	O2I^xxiv—C1D—O1F^xxxi	60.48 (15)
Si1J^xvi—O1M—Si1B	154.3 (5)	O2I^xvi—C1D—O1F^xxxi	119.52 (15)
Si1J^xvi—O1M—C1A	81.0 (2)	O2I^xvi—C1D—O1G^xxiv	141.97 (15)
Si1C—O2A—C1Bⁱⁱⁱ	101.3 (3)	O2I^xxiv—C1D—O1G^xxiv	38.03 (15)
Si1C—O2A—C1C^iv	84.6 (3)	O2I^xxiv—C1D—O1G^xvi	141.97 (15)
Si2B—O2A—Si1C	159.2 (5)	O2I^xvi—C1D—O1G^xvi	38.03 (15)
Si2B—O2A—C1Bⁱⁱⁱ	99.5 (3)	O2I^xvi—C1D—O2D^xxii	65.10 (15)
Si2B—O2A—C1C^iv	84.8 (3)	O2I^xvi—C1D—O2D^xiii	114.90 (15)
C1Bⁱⁱⁱ—O2A—C1C^iv	120.4 (2)	O2I^xxiv—C1D—O2D^xxii	114.90 (15)
Si1B^iv—O2B—C1A^vi	99.9 (3)	O2I^xxiv—C1D—O2D^xiii	65.10 (15)
Si1B^iv—O2B—C1C	81.0 (3)	O2I^xxiv—C1D—O2I^xvi	180.00 (15)
Si2C—O2B—Si1B^iv	158.4 (5)	O2I^xvi—C1D—O3D^xxiv	141.92 (14)
Si2C—O2B—C1A^vi	92.5 (3)	O2I^xxiv—C1D—O3D^xvi	141.92 (14)
Si2C—O2B—C1C	77.9 (3)	O2I^xxiv—C1D—O3D^xxiv	38.08 (14)
C1A^vi—O2B—C1C	113.02 (19)	O2I^xvi—C1D—O3D^xvi	38.08 (14)
Si1I^vii—O2C—Si2A	158.9 (5)	O3D^xvi—C1D—O1F^xxxi	86.70 (13)
Si1I^vii—O2C—C1B^ix	92.4 (3)	O3D^xxiv—C1D—O1F^xxxi	93.30 (13)
Si1I^vii—O2C—C1Cⁱ	86.1 (3)	O3D^xxiv—C1D—O3D^xvi	180.0
Si2A—O2C—C1B^ix	85.2 (3)	O4B^xxi—C1D—O1F^xxxi	95.58 (15)
Si2A—O2C—C1Cⁱ	74.6 (3)	O4B^xiv—C1D—O1F^xxxi	84.42 (15)
C1B^ix—O2C—C1Cⁱ	106.22 (19)	O4B^xiv—C1D—O1G^xvi	71.81 (14)
Si1E^vii—O2D—Si2B	159.3 (5)	O4B^xxi—C1D—O1G^xvi	108.19 (14)
Si1E^vii—O2D—C1Bⁱⁱⁱ	81.8 (2)	O4B^xxi—C1D—O1G^xxiv	71.81 (14)
Si1E^vii—O2D—C1Dⁱⁱⁱ	97.9 (3)	O4B^xiv—C1D—O1G^xxiv	108.19 (14)
Si2B—O2D—C1Bⁱⁱⁱ	77.5 (2)	O4B^xiv—C1D—O2D^xxii	102.32 (16)
Si2B—O2D—C1Dⁱⁱⁱ	88.2 (3)	O4B^xxi—C1D—O2D^xiii	102.32 (16)
C1Dⁱⁱⁱ—O2D—C1Bⁱⁱⁱ	109.14 (16)	O4B^xxi—C1D—O2D^xxii	77.68 (16)
Si1D—O2E—Si2C	154.6 (5)	O4B^xiv—C1D—O2D^xiii	77.68 (16)
Si1D—O2E—C1A^vi	82.5 (2)	O4B^xxi—C1D—O2F^xxxii	128.40 (16)
Si1D—O2E—C1D^vi	102.0 (3)	O4B^xiv—C1D—O2F^xxxii	51.60 (16)
Si2C—O2E—C1A^vi	73.1 (2)	O4B^xiv—C1D—O2F	128.40 (16)
Si2C—O2E—C1D^vi	93.2 (3)	O4B^xxi—C1D—O2F	51.60 (16)
C1D^vi—O2E—C1A^vi	110.43 (16)	O4B^xxi—C1D—O2I^xxiv	109.84 (16)
Si1L—O2F—C1A	98.5 (3)	O4B^xiv—C1D—O2I^xvi	109.84 (16)
Si1L—O2F—C1D	93.0 (3)	O4B^xiv—C1D—O2I^xxiv	70.16 (16)
Si2D—O2F—Si1L	162.0 (6)	O4B^xxi—C1D—O2I^xvi	70.16 (16)
Si2D—O2F—C1A	94.6 (3)	O4B^xxi—C1D—O3D^xvi	90.80 (15)
Si2D—O2F—C1D	90.5 (3)	O4B^xiv—C1D—O3D^xxiv	90.80 (14)
C1D—O2F—C1A	122.12 (19)	O4B^xiv—C1D—O3D^xvi	89.20 (14)
Si1F^xi—O2G—C1C	101.5 (3)	O4B^xxi—C1D—O3D^xxiv	89.20 (14)
Si1F^xi—O2G—C1D^vi	85.3 (3)	O4B^xiv—C1D—O4B^xxi	180.00 (12)
Si2C—O2G—Si1F^xi	156.1 (5)	O4D^xi—C1D—O1F^xxxi	108.42 (15)
Si2C—O2G—C1C	102.3 (3)	O4D^xxxiii—C1D—O1F^xxxi	71.58 (15)
Si2C—O2G—C1D^vi	81.5 (3)	O4D^xxxiii—C1D—O1G^xvi	91.21 (16)
C1C—O2G—C1D^vi	118.9 (3)	O4D^xxxiii—C1D—O1G^xxiv	88.79 (16)
Si1J—O2H—C1Aⁱ	87.5 (3)	O4D^xi—C1D—O1G^xvi	88.79 (16)
Si1J—O2H—C1Bⁱⁱⁱ	89.2 (3)	O4D^xi—C1D—O1G^xxiv	91.21 (16)
Si2Dⁱ—O2H—Si1J	157.6 (6)	O4D^xxxiii—C1D—O2D^xxii	38.68 (16)
Si2Dⁱ—O2H—C1Aⁱ	75.5 (3)	O4D^xxxiii—C1D—O2D^xiii	141.32 (16)
Si2Dⁱ—O2H—C1Bⁱⁱⁱ	81.4 (3)	O4D^xi—C1D—O2D^xiii	38.68 (16)
C1Bⁱⁱⁱ—O2H—C1Aⁱ	104.61 (17)	O4D^xi—C1D—O2D^xxii	141.32 (16)
Si1K—O2I—Si2Dⁱ	162.6 (5)	O4D^xxxiii—C1D—O2F^xxxii	109.34 (16)
Si1K—O2I—C1Bⁱⁱⁱ	87.9 (3)	O4D^xi—C1D—O2F	109.34 (16)
Si1K—O2I—C1Dⁱ	97.6 (3)	O4D^xi—C1D—O2F^xxxii	70.66 (16)
Si2Dⁱ—O2I—C1Bⁱⁱⁱ	80.8 (3)	O4D^xxxiii—C1D—O2F	70.66 (16)
Si2Dⁱ—O2I—C1Dⁱ	99.4 (3)	O4D^xxxiii—C1D—O2I^xvi	61.02 (17)
C1Dⁱ—O2I—C1Bⁱⁱⁱ	117.78 (19)	O4D^xi—C1D—O2I^xxiv	61.02 (17)
Si1Gⁱⁱⁱ—O2J—C1C^iv	101.1 (3)	O4D^xxxiii—C1D—O2I^xxiv	118.98 (17)
Si1Gⁱⁱⁱ—O2J—C1Dⁱⁱⁱ	82.5 (3)	O4D^xi—C1D—O2I^xvi	118.98 (17)
Si2B—O2J—Si1Gⁱⁱⁱ	156.5 (6)	O4D^xxxiii—C1D—O3D^xvi	59.88 (16)
Si2B—O2J—C1C^iv	94.2 (3)	O4D^xi—C1D—O3D^xxiv	59.88 (16)
Si2B—O2J—C1Dⁱⁱⁱ	75.1 (3)	O4D^xi—C1D—O3D^xvi	120.12 (16)
C1C^iv—O2J—C1Dⁱⁱⁱ	112.2 (3)	O4D^xxxiii—C1D—O3D^xxiv	120.12 (16)
Si1H^iv—O2K—Si2A^xvi	171.8 (5)	O4D^xi—C1D—O4B^xxi	140.99 (17)
Si1H^iv—O2K—C1A^vi	91.1 (3)	O4D^xxxiii—C1D—O4B^xxi	39.01 (17)
Si1H^iv—O2K—C1C	89.5 (3)	O4D^xxxiii—C1D—O4B^xiv	140.99 (17)
Si2A^xvi—O2K—C1A^vi	87.8 (3)	O4D^xi—C1D—O4B^xiv	39.01 (17)
Si2A^xvi—O2K—C1C	83.2 (3)	O4D^xi—C1D—O4D^xxxiii	180.0
C1A^vi—O2K—C1C	110.6 (2)	C2D^xxvii—C2A—C2G^xi	34 (4)
Si1A^xviii—O2L—Si2A^xvi	165.6 (6)	C2D^xxvii—C2A—C2K	94 (4)
Si1A^xviii—O2L—C1A^vi	96.1 (3)	C2D^xxvii—C2A—C2L	84 (4)
Si1A^xviii—O2L—C1B^xix	91.0 (3)	C2E^iv—C2A—C2D^xxvii	110 (8)
Si2A^xvi—O2L—C1A^vi	96.1 (3)	C2E^iv—C2A—C2G^xi	116 (8)
Si2A^xvi—O2L—C1B^xix	89.1 (3)	C2E^iv—C2A—C2K	63 (7)
C1A^vi—O2L—C1B^xix	121.5 (2)	C2E^iv—C2A—C2L	76 (7)
Si1A—O3A—Si1J	179.6 (6)	C2G^xi—C2A—C2K	69 (4)
Si1A—O3A—C1Aⁱ	84.2 (3)	C2G^xi—C2A—C2L	56 (3)
Si1A—O3A—C1Bⁱⁱⁱ	85.8 (3)	C2K—C2A—C2L	14 (2)
Si1J—O3A—C1Aⁱ	95.9 (3)	C2F^xx—C2B—C2C^xxxiv	63 (4)
Si1J—O3A—C1Bⁱⁱⁱ	93.8 (3)	C2F^xx—C2B—C2J	128 (7)
C1Bⁱⁱⁱ—O3A—C1Aⁱ	111.01 (15)	C2J—C2B—C2C^xxxiv	72 (6)
Si1F^xvi—O3B—C1C^xiv	84.7 (4)	C2A^xxxi—C2D—C2E^xx	24 (3)
Si1F^xvi—O3B—C1D	85.7 (3)	C2A^xxxi—C2D—C2G^xii	94 (7)
Si1G—O3B—Si1F^xvi	168.9 (5)	C2E^xx—C2D—C2G^xii	100 (7)
Si1G—O3B—C1C^xiv	89.7 (4)	C2A^iv—C2E—C2D^xx	45 (6)
Si1G—O3B—C1D	87.0 (3)	C2A^iv—C2E—C2F^xvi	140 (8)
C1C^xiv—O3B—C1D	108.85 (14)	C2A^iv—C2E—C2G^xvii	45 (6)
Si1D^v—O3C—C1A^vi	90.7 (3)	C2A^iv—C2E—C2K^iv	96 (8)
Si1D^v—O3C—C1D^ix	88.3 (3)	C2D^xx—C2E—C2F^xvi	97 (4)
Si1L^iv—O3C—Si1D^v	167.5 (5)	C2D^xx—C2E—C2G^xvii	26 (3)
Si1L^iv—O3C—C1A^vi	86.6 (2)	C2D^xx—C2E—C2K^iv	90 (4)
Si1L^iv—O3C—C1D^ix	81.0 (3)	C2F^xvi—C2E—C2G^xvii	96 (3)
C1A^vi—O3C—C1D^ix	107.81 (15)	C2K^iv—C2E—C2F^xvi	67 (3)
Si1E^xxi—O3D—Si1K	174.8 (5)	C2K^iv—C2E—C2G^xvii	66 (3)
Si1E^xxi—O3D—C1Bⁱⁱⁱ	89.9 (3)	C2B^xx—C2F—C2Eⁱ	95 (4)
Si1E^xxi—O3D—C1Dⁱ	92.9 (3)	C2B^xx—C2F—C2J^xx	22 (3)
Si1K—O3D—C1Bⁱⁱⁱ	91.0 (3)	C2B^xx—C2F—C2K^vii	90 (4)
Si1K—O3D—C1Dⁱ	81.9 (2)	C2B^xx—C2F—C2L^vii	79 (4)
C1Dⁱ—O3D—C1Bⁱⁱⁱ	110.74 (16)	C2Eⁱ—C2F—C2J^xx	97 (3)
Si1C—O3E—C1Bⁱⁱⁱ	87.1 (3)	C2Eⁱ—C2F—C2L^vii	70 (3)
Si1C—O3E—C1C^iv	83.3 (3)	C2J^xx—C2F—C2L^vii	60 (3)
Si1I—O3E—Si1C	176.9 (5)	C2K^vii—C2F—C2Eⁱ	58 (3)
Si1I—O3E—C1Bⁱⁱⁱ	89.8 (3)	C2K^vii—C2F—C2J^xx	73 (3)
Si1I—O3E—C1C^iv	97.6 (3)	C2K^vii—C2F—C2L^vii	15 (2)
C1Bⁱⁱⁱ—O3E—C1C^iv	110.93 (17)	C2A^xi—C2G—C2D^xv	52 (5)
Si1B—O3F—C1A	91.4 (3)	C2A^xi—C2G—C2E^xxxvi	19 (3)
Si1B—O3F—C1C^iv	86.3 (3)	C2A^xi—C2G—C2K^xi	65 (3)
Si1H—O3F—Si1B	176.3 (5)	C2A^xi—C2G—C2L^xi	86 (4)
Si1H—O3F—C1A	91.5 (3)	C2D^xv—C2G—C2E^xxxvi	54 (5)
Si1H—O3F—C1C^iv	90.4 (3)	C2D^xv—C2G—C2K^xi	103 (7)
C1A—O3F—C1C^iv	111.46 (18)	C2D^xv—C2G—C2L^xi	123 (7)
Si2Dⁱ—O4A—Si3ⁱⁱ	148.0 (6)	C2E^xxxvi—C2G—C2K^xi	52 (3)
Si2Dⁱ—O4A—C1Aⁱ	95.1 (3)	C2E^xxxvi—C2G—C2L^xi	74 (4)
Si2Dⁱ—O4A—C1Bⁱⁱⁱ	102.8 (3)	C2I^xv—C2G—C2A^xi	112 (7)
Si2Dⁱ—O4A—C1Dⁱ	74.9 (3)	C2I^xv—C2G—C2D^xv	151 (10)
Si3ⁱⁱ—O4A—C1Aⁱ	90.5 (3)	C2I^xv—C2G—C2E^xxxvi	102 (7)
Si3ⁱⁱ—O4A—C1Bⁱⁱⁱ	96.6 (3)	C2I^xv—C2G—C2K^xi	51 (7)
Si3ⁱⁱ—O4A—C1Dⁱ	73.8 (3)	C2I^xv—C2G—C2L^xi	29 (7)
C1Aⁱ—O4A—C1Bⁱⁱⁱ	131.7 (2)	C2K^xi—C2G—C2L^xi	22 (2)
C1Aⁱ—O4A—C1Dⁱ	112.00 (18)	C2G^xii—C2I—C2J^xvi	72 (8)
C1Bⁱⁱⁱ—O4A—C1Dⁱ	115.83 (19)	C2G^xii—C2I—C2K^xxxi	89 (9)
Si2C—O4B—Si3	156.1 (6)	C2K^xxxi—C2I—C2J^xvi	76 (7)
Si2C—O4B—C1A^vi	101.0 (3)	C2L^xxxi—C2I—C2G^xii	119 (10)
Si2C—O4B—C1C	81.1 (4)	C2L^xxxi—C2I—C2J^xvi	82 (9)
Si2C—O4B—C1D^vi	90.0 (3)	C2L^xxxi—C2I—C2K^xxxi	30 (6)
Si3—O4B—C1A^vi	99.3 (3)	C2B—C2J—C2F^xx	30 (4)
Si3—O4B—C1C	77.7 (4)	C2B—C2J—C2Iⁱ	107 (6)
Si3—O4B—C1D^vi	87.7 (3)	C2B—C2J—C2K^xxxvii	76 (5)
C1A^vi—O4B—C1C	120.5 (2)	C2B—C2J—C2L^xxxvii	96 (5)
C1D^vi—O4B—C1A^vi	127.4 (2)	C2F^xx—C2J—C2Iⁱ	91 (4)
C1D^vi—O4B—C1C	112.0 (2)	C2F^xx—C2J—C2K^xxxvii	52 (2)
Si2A—O4C—Si3ⁱ	149.1 (6)	C2F^xx—C2J—C2L^xxxvii	71 (3)
Si2A—O4C—C1A^x	79.7 (3)	C2Hⁱ—C2J—C2B	68 (5)
Si2A—O4C—C1B^ix	89.9 (3)	C2Hⁱ—C2J—C2F^xx	91 (3)
Si2A—O4C—C1Cⁱ	106.3 (4)	C2Hⁱ—C2J—C2Iⁱ	88 (5)
Si3ⁱ—O4C—C1A^x	73.9 (3)	C2Hⁱ—C2J—C2K^xxxvii	101 (3)
Si3ⁱ—O4C—C1B^ix	85.1 (3)	C2Hⁱ—C2J—C2L^xxxvii	111 (3)
Si3ⁱ—O4C—C1Cⁱ	100.3 (3)	C2Iⁱ—C2J—C2K^xxxvii	41 (4)
C1B^ix—O4C—C1A^x	111.20 (18)	C2Iⁱ—C2J—C2L^xxxvii	31 (4)
C1Cⁱ—O4C—C1A^x	118.8 (4)	C2K^xxxvii—C2J—C2L^xxxvii	20 (2)
C1Cⁱ—O4C—C1B^ix	129.3 (4)	C2A—C2K—C2E^iv	21 (2)
Si2B^vii—O4D—Si3ⁱ	152.7 (6)	C2A—C2K—C2F^vii	72 (3)
Si2B^vii—O4D—C1B^ix	86.1 (3)	C2A—C2K—C2G^xi	46 (3)
Si2B^vii—O4D—C1Cⁱ	83.2 (4)	C2A—C2K—C2I^xxvii	84 (6)
Si2B^vii—O4D—C1D^x	103.8 (3)	C2A—C2K—C2J^xxxviii	85 (3)
Si3ⁱ—O4D—C1B^ix	79.6 (3)	C2E^iv—C2K—C2F^vii	54 (3)
Si3ⁱ—O4D—C1Cⁱ	80.7 (4)	C2E^iv—C2K—C2G^xi	62 (3)
Si3ⁱ—O4D—C1D^x	103.5 (4)	C2E^iv—C2K—C2I^xxvii	102 (7)
C1B^ix—O4D—C1Cⁱ	111.5 (2)	C2E^iv—C2K—C2J^xxxviii	84 (3)
C1D^x—O4D—C1B^ix	124.5 (2)	C2F^vii—C2K—C2G^xi	87 (3)
C1D^x—O4D—C1Cⁱ	123.9 (2)	C2F^vii—C2K—C2I^xxvii	114 (7)
O1K—C1A—O1K^xxii	180.0	C2F^vii—C2K—C2J^xxxviii	55 (2)
O1K—C1A—O2K^iv	119.36 (13)	C2G^xi—C2K—C2J^xxxviii	58 (3)
O1K—C1A—O2K^xxi	60.64 (13)	C2I^xxvii—C2K—C2G^xi	40 (6)
O1K^xxii—C1A—O2K^xxi	119.36 (13)	C2I^xxvii—C2K—C2J^xxxviii	63 (6)
O1K^xxii—C1A—O2K^iv	60.64 (13)	C2L—C2K—C2A	129 (8)
O1K—C1A—O3F	87.16 (13)	C2L—C2K—C2E^iv	148 (8)
O1K^xxii—C1A—O3F	92.85 (13)	C2L—C2K—C2F^vii	127 (8)
O2B^xxi—C1A—O1K^xxii	54.13 (15)	C2L—C2K—C2G^xi	85 (7)
O2B^xxi—C1A—O1K	125.87 (15)	C2L—C2K—C2I^xxvii	46 (8)
O2B^iv—C1A—O1K	54.13 (15)	C2L—C2K—C2J^xxxviii	77 (7)
O2B^iv—C1A—O1K^xxii	125.87 (15)	C2A—C2L—C2F^vii	54 (2)
O2B^iv—C1A—O2B^xxi	180.0	C2A—C2L—C2G^xi	38 (2)
O2B^iv—C1A—O2F	92.01 (15)	C2A—C2L—C2J^xxxviii	74 (3)
O2B^xxi—C1A—O2F	87.99 (15)	C2F^vii—C2L—C2J^xxxviii	49 (2)
O2B^xxi—C1A—O2F^xxii	92.01 (15)	C2G^xi—C2L—C2F^vii	72 (3)
O2B^iv—C1A—O2F^xxii	87.99 (15)	C2G^xi—C2L—C2J^xxxviii	58 (3)
O2B^iv—C1A—O2K^iv	65.25 (15)	C2I^xxvii—C2L—C2A	68 (8)
O2B^iv—C1A—O2K^xxi	114.75 (15)	C2I^xxvii—C2L—C2F^vii	101 (9)
O2B^xxi—C1A—O2K^iv	114.75 (15)	C2I^xxvii—C2L—C2G^xi	33 (8)
O2B^xxi—C1A—O2K^xxi	65.25 (15)	C2I^xxvii—C2L—C2J^xxxviii	67 (9)
O2B^xxi—C1A—O2L^iv	85.46 (16)	C2K—C2L—C2A	37 (6)
O2B^iv—C1A—O2L^iv	94.54 (16)	C2K—C2L—C2F^vii	38 (6)
O2B^xxi—C1A—O2L^xxi	94.54 (16)	C2K—C2L—C2G^xi	72 (7)
O2B^iv—C1A—O2L^xxi	85.46 (16)	C2K—C2L—C2I^xxvii	104 (10)
O2B^iv—C1A—O3F	38.23 (15)	C2K—C2L—C2J^xxxviii	83 (7)
O2B^xxi—C1A—O3F	141.77 (15)

Symmetry codes: (i) x, y+1, z; (ii) x−1, y+1, z; (iii) x, y+1/2, z−1/2; (iv) −x+1, −y+1/2, −z+1/2; (v) −x+2, −y+1/2, −z+1/2; (vi) x+1, y, z; (vii) −x+1, −y+3/2, −z+1/2; (viii) −x+2, −y+1, −z+1; (ix) x+1, y+1/2, z−1/2; (x) x+1, y+1, z; (xi) −x+1, −y+1, −z+1; (xii) −x+1/2, y−1/2, −z+1; (xiii) x, y−1/2, z+1/2; (xiv) −x+1, −y, −z+1; (xv) −x+1/2, y+1/2, −z+1; (xvi) x, y−1, z; (xvii) x, y−1/2, z−1/2; (xviii) x+1, y−1, z; (xix) x+1, y−1/2, z−1/2; (xx) −x+1/2, y, −z+1/2; (xxi) x−1, y, z; (xxii) −x, −y+1/2, −z+1/2; (xxiii) −x, −y+3/2, −z+1/2; (xxiv) −x, −y+1, −z+1; (xxv) x−1, y−1/2, z+1/2; (xxvi) x−1, y+1/2, z+1/2; (xxvii) x+1/2, −y+1/2, z; (xxviii) −x+3/2, y, −z+1/2; (xxix) x+1/2, −y, z−1/2; (xxx) −x+3/2, y−1, −z+1/2; (xxxi) x−1/2, −y+1/2, z; (xxxii) −x, −y, −z+1; (xxxiii) x−1, y−1, z; (xxxiv) x−1/2, −y+1, z+1/2; (xxxv) x+1/2, −y+1, z−1/2; (xxxvi) x, y+1/2, z+1/2; (xxxvii) x−1/2, −y+3/2, z; (xxxviii) x+1/2, −y+3/2, z.

(200k_cubic) top

Crystal data top

0.01(C_46.82NaO₂₇₂Si₁₃₆)·0.16(C)	D_x = 1.961 Mg m⁻³
M_r = 63.35	Mo Kα radiation, λ = 0.71073 Å
Cubic, Fd3m	Cell parameters from 31876 reflections
a = 19.3944 (15) Å	θ = 3–67°
V = 7295.1 (17) Å³	µ = 0.71 mm⁻¹
Z = 136	T = 200 K
F(000) = 4301	Platelet

Data collection top

StoeStadiVari diffractometer	θ_max = 33.4°, θ_min = 3.0°
30560 measured reflections	h = −29→30
720 independent reflections	k = −29→29
699 reflections with I > 2σ(I)	l = −14→29
R_int = 0.254

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + 1620.P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.200	(Δ/σ)_max < 0.001
wR(F²) = 0.379	Δρ_max = 1.19 e Å⁻³
S = 1.29	Δρ_min = −5.47 e Å⁻³
720 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
44 parameters	Extinction coefficient: 0.0013 (3)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1	0.06776 (19)	0.06776 (19)	0.3692 (2)	0.0287 (13)
Si2	0.21638 (17)	0.21638 (17)	0.21638 (17)	0.0119 (12)
Si3	0.1250	0.1250	0.1250	0.015 (2)
O1	0.0000	0.3443 (8)	−0.3443 (8)	0.075 (6)
O2	0.1999 (10)	0.1999 (10)	0.2936 (10)	0.105 (9)
O3	0.3745 (14)	0.1250	0.1250	0.054 (6)
O4	0.1717 (7)	0.1717 (7)	0.1717 (7)	0.108 (16)
Na	0.5000	0.5000	0.5000	0.050*	0.06 (5)
C1	0.0000	0.0000	0.0000	0.041 (11)
C2B	0.401 (7)	0.401 (7)	0.401 (7)	0.050*	0.19 (17)
C2C	0.357 (6)	0.357 (6)	0.284 (9)	0.050*	0.14 (6)
C2D	0.359 (6)	0.359 (6)	0.432 (11)	0.050*	0.15 (7)
C2E	0.324 (4)	0.324 (4)	0.352 (6)	0.050*	0.20 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1	0.0377 (18)	0.0377 (18)	0.0109 (18)	0.0171 (18)	−0.0067 (12)	−0.0067 (12)
Si2	0.0119 (12)	0.0119 (12)	0.0119 (12)	−0.0020 (11)	−0.0020 (11)	−0.0020 (11)
Si3	0.015 (2)	0.015 (2)	0.015 (2)	0.000	0.000	0.000
O1	0.053 (10)	0.085 (9)	0.085 (9)	−0.018 (6)	−0.018 (6)	−0.023 (10)
O2	0.141 (14)	0.141 (14)	0.033 (9)	0.012 (16)	0.038 (8)	0.038 (8)
O3	0.076 (16)	0.043 (7)	0.043 (7)	0.000	0.000	0.002 (10)
O4	0.108 (16)	0.108 (16)	0.108 (16)	−0.055 (10)	−0.055 (10)	−0.055 (10)
C1	0.041 (11)	0.041 (11)	0.041 (11)	0.000 (12)	0.000 (12)	0.000 (12)

Geometric parameters (Å, º) top

Si1—O1ⁱ	1.579 (3)	C2B—C2D^xxxi	0.7 (2)
Si1—O1ⁱⁱ	1.579 (3)	C2B—C2D^vi	0.7 (2)
Si1—O2ⁱⁱⁱ	1.544 (16)	C2B—C2D^viii	1.29 (14)
Si1—O3^iv	1.573 (6)	C2B—C2D^xxxv	0.7 (2)
Si1—Na^v	3.144 (5)	C2B—C2D	1.29 (14)
Si1—Na^vi	5.605 (5)	C2B—C2D^vii	1.29 (14)
Si2—O2^vii	1.565 (16)	C2B—C2E^xxxi	1.18 (12)
Si2—O2	1.565 (16)	C2B—C2E^vi	1.18 (12)
Si2—O2^viii	1.565 (16)	C2B—C2E^xxxv	1.18 (12)
Si2—O4	1.50 (2)	C2C—C2B^xxxiii	1.53 (17)
Si2—Na^vi	5.577 (4)	C2C—C2B^xxxiv	1.53 (17)
Si2—Na^ix	5.577 (4)	C2C—C2C^vi	1.0 (3)
Si2—Na^x	5.577 (4)	C2C—C2D^xxxiv	0.9 (2)
Si3—O4^xi	1.57 (2)	C2C—C2D^xxxvi	1.8 (2)
Si3—O4ⁱⁱⁱ	1.57 (2)	C2C—C2D^xxxvii	1.8 (2)
Si3—O4	1.57 (2)	C2C—C2D^xxxiii	0.9 (2)
Si3—O4^xii	1.57 (2)	C2C—C2E^vii	1.01 (16)
O1—Si1^xiii	1.579 (3)	C2C—C2E^xxxvi	1.74 (18)
O1—Si1^xiv	1.579 (3)	C2C—C2E	1.6 (2)
O1—Na^xv	2.59 (2)	C2C—C2E^viii	1.01 (16)
O2—Si1ⁱⁱⁱ	1.544 (16)	C2C—C2E^xxxvii	1.74 (18)
O2—Na^vi	4.23 (2)	C2D—C2B^vi	0.7 (2)
O3—Si1^vii	1.573 (6)	C2D—C2C^xxxiv	0.9 (2)
O3—Si1^xvi	1.573 (6)	C2D—C2C^xxxiii	0.9 (2)
O3—Na^xvii	4.204 (15)	C2D—C2D^vi	0.9 (3)
O3—Na^x	4.204 (15)	C2D—C2D^xxxviii	1.1 (4)
Na—Si1^xviii	3.144 (5)	C2D—C2D^xxxix	1.1 (4)
Na—Si1^xix	3.144 (5)	C2D—C2E^xxxi	1.31 (12)
Na—Si1^xx	3.144 (5)	C2D—C2E^xxxv	1.31 (12)
Na—Si1^xxi	3.144 (5)	C2D—C2E^xxxiv	1.61 (12)
Na—Si1^xxii	3.144 (5)	C2D—C2E^xxxix	1.02 (10)
Na—Si1^xxiii	3.144 (5)	C2D—C2E^xxxviii	1.02 (10)
Na—O1^xxiv	2.59 (2)	C2E—C2B^vi	1.18 (12)
Na—O1^xxv	2.59 (2)	C2E—C2B^xxxiii	1.58 (14)
Na—O1^xxvi	2.59 (2)	C2E—C2B^xxxiv	1.58 (14)
Na—O1^xxvii	2.59 (2)	C2E—C2C^vii	1.01 (16)
Na—O1^xxviii	2.59 (2)	C2E—C2C^viii	1.01 (16)
Na—O1^xxix	2.59 (2)	C2E—C2D^xxxvii	1.31 (12)
Na—C2D^xxx	3.27 (16)	C2E—C2D^xxxviii	1.02 (10)
Na—C2D^xxxi	3.27 (16)	C2E—C2D^xxxix	1.02 (10)
Na—C2D^xxxii	3.27 (16)	C2E—C2D^xxxvi	1.31 (12)
C2B—C2B^xxxiii	1.4 (4)	C2E—C2E^viii	0.78 (18)
C2B—C2B^xxxiv	1.4 (4)	C2E—C2E^vii	0.78 (18)
C2B—C2B^vi	1.4 (4)

O1ⁱⁱ—Si1—O1ⁱ	110.1 (15)	C2E^xxxi—C2B—C2B^xxxiii	74 (10)
O1ⁱ—Si1—Na^vi	96.69 (19)	C2E^vi—C2B—C2B^xxxiii	74 (10)
O1ⁱ—Si1—Na^v	55.1 (8)	C2E^xxxv—C2B—C2D^vii	154 (10)
O1ⁱⁱ—Si1—Na^vi	96.69 (19)	C2E^xxxv—C2B—C2D	64 (5)
O1ⁱⁱ—Si1—Na^v	55.1 (8)	C2E^xxxi—C2B—C2D^viii	154 (10)
O2ⁱⁱⁱ—Si1—O1ⁱⁱ	108.3 (7)	C2E^vi—C2B—C2D	154 (10)
O2ⁱⁱⁱ—Si1—O1ⁱ	108.3 (7)	C2E^xxxv—C2B—C2D^viii	64 (5)
O2ⁱⁱⁱ—Si1—O3^iv	112.0 (15)	C2E^vi—C2B—C2D^viii	64 (5)
O2ⁱⁱⁱ—Si1—Na^vi	135.1 (12)	C2E^xxxi—C2B—C2D	64 (5)
O2ⁱⁱⁱ—Si1—Na^v	125.5 (12)	C2E^xxxi—C2B—C2D^vii	64 (5)
O3^iv—Si1—O1ⁱ	109.1 (6)	C2E^vi—C2B—C2D^vii	64 (5)
O3^iv—Si1—O1ⁱⁱ	109.1 (6)	C2E^xxxv—C2B—C2E^xxxi	120.0 (8)
O3^iv—Si1—Na^v	122.5 (10)	C2E^vi—C2B—C2E^xxxv	120.0 (8)
O3^iv—Si1—Na^vi	23.2 (10)	C2E^vi—C2B—C2E^xxxi	120.0 (8)
Na^v—Si1—Na^vi	99.33 (9)	C2B^xxxiii—C2C—C2B^xxxiv	55 (10)
O2^viii—Si2—O2	110.5 (11)	C2B^xxxiii—C2C—C2D^xxxvi	66 (10)
O2^vii—Si2—O2	110.5 (11)	C2B^xxxiv—C2C—C2D^xxxvii	66 (10)
O2^vii—Si2—O2^viii	110.5 (11)	C2B^xxxiii—C2C—C2D^xxxvii	21 (6)
O2^vii—Si2—Na^ix	96.5 (9)	C2B^xxxiv—C2C—C2D^xxxvi	21 (6)
O2^vii—Si2—Na^vi	96.5 (9)	C2B^xxxiii—C2C—C2E^xxxvi	57 (9)
O2—Si2—Na^vi	26.3 (11)	C2B^xxxiv—C2C—C2E	60 (8)
O2—Si2—Na^x	96.5 (9)	C2B^xxxiv—C2C—C2E^xxxvii	57 (9)
O2—Si2—Na^ix	96.5 (9)	C2B^xxxiv—C2C—C2E^xxxvi	42 (6)
O2^viii—Si2—Na^vi	96.5 (9)	C2B^xxxiii—C2C—C2E^xxxvii	42 (6)
O2^viii—Si2—Na^x	96.5 (9)	C2B^xxxiii—C2C—C2E	60 (8)
O2^viii—Si2—Na^ix	26.4 (11)	C2C^vi—C2C—C2B^xxxiii	71 (6)
O2^vii—Si2—Na^x	26.4 (11)	C2C^vi—C2C—C2B^xxxiv	71 (6)
O4—Si2—O2	108.4 (11)	C2C^vi—C2C—C2D^xxxvi	92 (7)
O4—Si2—O2^viii	108.4 (11)	C2C^vi—C2C—C2D^xxxvii	92 (7)
O4—Si2—O2^vii	108.4 (11)	C2C^vi—C2C—C2E^vii	121 (10)
O4—Si2—Na^x	134.78 (4)	C2C^vi—C2C—C2E	125 (8)
O4—Si2—Na^vi	134.78 (4)	C2C^vi—C2C—C2E^xxxvii	30 (6)
O4—Si2—Na^ix	134.78 (4)	C2C^vi—C2C—C2E^xxxvi	30 (6)
Na^ix—Si2—Na^x	75.86 (7)	C2C^vi—C2C—C2E^viii	121 (10)
Na^ix—Si2—Na^vi	75.86 (7)	C2D^xxxiii—C2C—C2B^xxxiii	57 (10)
Na^x—Si2—Na^vi	75.86 (7)	C2D^xxxiv—C2C—C2B^xxxiii	13 (9)
O4^xi—Si3—O4ⁱⁱⁱ	109.471 (2)	C2D^xxxiii—C2C—C2B^xxxiv	13 (9)
O4^xi—Si3—O4	109.471 (3)	C2D^xxxiv—C2C—C2B^xxxiv	57 (10)
O4ⁱⁱⁱ—Si3—O4^xii	109.471 (1)	C2D^xxxiv—C2C—C2C^vi	58 (10)
O4^xii—Si3—O4	109.471 (4)	C2D^xxxiii—C2C—C2C^vi	58 (10)
O4ⁱⁱⁱ—Si3—O4	109.471 (2)	C2D^xxxiv—C2C—C2D^xxxiii	55 (10)
O4^xi—Si3—O4^xii	109.471 (1)	C2D^xxxiii—C2C—C2D^xxxvi	34 (10)
Si1^xiii—O1—Si1^xiv	170.2 (15)	C2D^xxxiv—C2C—C2D^xxxvi	72 (10)
Si1^xiii—O1—Na^xv	94.9 (8)	C2D^xxxvi—C2C—C2D^xxxvii	68 (10)
Si1^xiv—O1—Na^xv	94.9 (8)	C2D^xxxiv—C2C—C2D^xxxvii	34 (10)
Si1ⁱⁱⁱ—O2—Si2	179 (2)	C2D^xxxiii—C2C—C2D^xxxvii	72 (10)
Si1ⁱⁱⁱ—O2—Na^vi	37.2 (9)	C2D^xxxiii—C2C—C2E^viii	63 (10)
Si2—O2—Na^vi	144.2 (14)	C2D^xxxiv—C2C—C2E^vii	63 (10)
Si1^vii—O3—Si1^xvi	173 (2)	C2D^xxxiv—C2C—C2E^xxxvi	48 (10)
Si1^vii—O3—Na^x	148.4 (13)	C2D^xxxiii—C2C—C2E^xxxvi	29 (10)
Si1^xvi—O3—Na^x	39.1 (7)	C2D^xxxiii—C2C—C2E^xxxvii	48 (10)
Si1^vii—O3—Na^xvii	39.1 (7)	C2D^xxxiv—C2C—C2E^viii	85 (10)
Si1^xvi—O3—Na^xvii	148.4 (13)	C2D^xxxiv—C2C—C2E	73 (10)
Na^x—O3—Na^xvii	109.3 (6)	C2D^xxxiv—C2C—C2E^xxxvii	29 (10)
Si2—O4—Si3	180 (3)	C2D^xxxiii—C2C—C2E	73 (10)
Si1^xxii—Na—Si1^xix	119.972 (5)	C2D^xxxiii—C2C—C2E^vii	85 (10)
Si1^xx—Na—Si1^xix	180.00 (12)	C2E^vii—C2C—C2B^xxxiii	50 (10)
Si1^xxiii—Na—Si1^xix	60.028 (5)	C2E^viii—C2C—C2B^xxxiii	73 (10)
Si1^xxiii—Na—Si1^xxi	119.972 (5)	C2E^vii—C2C—C2B^xxxiv	73 (10)
Si1^xxii—Na—Si1^xxi	60.028 (5)	C2E^viii—C2C—C2B^xxxiv	50 (10)
Si1^xxiii—Na—Si1^xviii	60.028 (5)	C2E^xxxvii—C2C—C2D^xxxvii	63 (7)
Si1^xxii—Na—Si1^xviii	119.972 (5)	C2E^viii—C2C—C2D^xxxvii	64 (10)
Si1^xix—Na—Si1^xxi	60.028 (5)	C2E^vii—C2C—C2D^xxxvi	64 (10)
Si1^xx—Na—Si1^xviii	60.028 (5)	C2E—C2C—C2D^xxxvii	46 (8)
Si1^xxii—Na—Si1^xxiii	180.0	C2E—C2C—C2D^xxxvi	46 (8)
Si1^xxi—Na—Si1^xviii	180.0	C2E^viii—C2C—C2D^xxxvi	30 (10)
Si1^xix—Na—Si1^xviii	119.972 (5)	C2E^xxxvi—C2C—C2D^xxxvi	63 (7)
Si1^xxii—Na—Si1^xx	60.028 (5)	C2E^xxxvi—C2C—C2D^xxxvii	78 (9)
Si1^xxiii—Na—Si1^xx	119.972 (5)	C2E^vii—C2C—C2D^xxxvii	30 (10)
Si1^xx—Na—Si1^xxi	119.972 (5)	C2E^xxxvii—C2C—C2D^xxxvi	78 (9)
Si1^xx—Na—C2D^xxxii	85.3 (19)	C2E^viii—C2C—C2E^vii	45 (10)
Si1^xviii—Na—C2D^xxxi	85.3 (19)	C2E—C2C—C2E^xxxvii	97 (10)
Si1^xxi—Na—C2D^xxx	85.3 (19)	C2E^vii—C2C—C2E^xxxvi	102 (10)
Si1^xxiii—Na—C2D^xxxii	102 (4)	C2E^vii—C2C—C2E^xxxvii	92 (10)
Si1^xx—Na—C2D^xxx	102 (4)	C2E^viii—C2C—C2E^xxxvi	92 (10)
Si1^xix—Na—C2D^xxx	78 (4)	C2E^vii—C2C—C2E	23 (7)
Si1^xxii—Na—C2D^xxxii	78 (4)	C2E^viii—C2C—C2E^xxxvii	102 (10)
Si1^xxi—Na—C2D^xxxii	85.3 (19)	C2E^viii—C2C—C2E	23 (7)
Si1^xxiii—Na—C2D^xxxi	94.7 (19)	C2E—C2C—C2E^xxxvi	97 (10)
Si1^xxiii—Na—C2D^xxx	85.3 (19)	C2E^xxxvi—C2C—C2E^xxxvii	26 (7)
Si1^xx—Na—C2D^xxxi	78 (4)	C2B^vi—C2D—C2B	87 (10)
Si1^xviii—Na—C2D^xxxii	94.7 (19)	C2B^vi—C2D—C2C^xxxiii	147 (10)
Si1^xix—Na—C2D^xxxi	102 (4)	C2B^vi—C2D—C2C^xxxiv	147 (10)
Si1^xviii—Na—C2D^xxx	94.7 (19)	C2B^vi—C2D—C2D^xxxix	32 (9)
Si1^xxi—Na—C2D^xxxi	94.7 (19)	C2B^vi—C2D—C2D^vi	115 (10)
Si1^xxii—Na—C2D^xxxi	85.3 (19)	C2B^vi—C2D—C2D^xxxviii	32 (9)
Si1^xxii—Na—C2D^xxx	94.7 (19)	C2B^vi—C2D—C2E^xxxiv	75 (10)
Si1^xix—Na—C2D^xxxii	94.7 (19)	C2B—C2D—C2E^xxxiv	65 (7)
O1^xxv—Na—Si1^xxi	90.000 (1)	C2B^vi—C2D—C2E^xxxi	101 (10)
O1^xxvii—Na—Si1^xviii	149.986 (3)	C2B—C2D—C2E^xxxv	54 (7)
O1^xxvii—Na—Si1^xxiii	149.986 (2)	C2B^vi—C2D—C2E^xxxviii	86 (10)
O1^xxiv—Na—Si1^xxi	149.986 (3)	C2B^vi—C2D—C2E^xxxix	86 (10)
O1^xxviii—Na—Si1^xxiii	90.000 (1)	C2B—C2D—C2E^xxxi	54 (7)
O1^xxvii—Na—Si1^xxi	30.014 (3)	C2B^vi—C2D—C2E^xxxv	101 (10)
O1^xxv—Na—Si1^xx	149.986 (3)	C2C^xxxiv—C2D—C2B	85 (10)
O1^xxix—Na—Si1^xviii	149.986 (3)	C2C^xxxiii—C2D—C2B	85 (10)
O1^xxiv—Na—Si1^xix	90.0	C2C^xxxiv—C2D—C2C^xxxiii	63 (10)
O1^xxviii—Na—Si1^xviii	30.014 (2)	C2C^xxxiii—C2D—C2D^xxxix	118 (10)
O1^xxvii—Na—Si1^xix	90.0	C2C^xxxiv—C2D—C2D^xxxix	177 (10)
O1^xxvi—Na—Si1^xviii	90.0	C2C^xxxiii—C2D—C2D^xxxviii	177 (10)
O1^xxix—Na—Si1^xxi	30.014 (3)	C2C^xxxiv—C2D—C2D^xxxviii	118 (10)
O1^xxvi—Na—Si1^xxii	30.014 (3)	C2C^xxxiii—C2D—C2E^xxxiv	128 (10)
O1^xxix—Na—Si1^xxii	90.000 (1)	C2C^xxxiv—C2D—C2E^xxxv	100 (10)
O1^xxviii—Na—Si1^xxi	149.986 (3)	C2C^xxxiv—C2D—C2E^xxxi	50 (10)
O1^xxviii—Na—Si1^xxii	90.0	C2C^xxxiv—C2D—C2E^xxxix	62 (10)
O1^xxv—Na—Si1^xviii	90.0	C2C^xxxiv—C2D—C2E^xxxviii	125 (10)
O1^xxix—Na—Si1^xxiii	90.0	C2C^xxxiii—C2D—C2E^xxxviii	62 (10)
O1^xxix—Na—Si1^xix	30.014 (2)	C2C^xxxiii—C2D—C2E^xxxix	125 (10)
O1^xxvi—Na—Si1^xxiii	149.986 (3)	C2C^xxxiii—C2D—C2E^xxxi	100 (10)
O1^xxvii—Na—Si1^xx	90.0	C2C^xxxiii—C2D—C2E^xxxv	50 (10)
O1^xxiv—Na—Si1^xxiii	30.014 (2)	C2C^xxxiv—C2D—C2E^xxxiv	73 (10)
O1^xxv—Na—Si1^xxiii	30.014 (3)	C2D^vi—C2D—C2B	27 (10)
O1^xxix—Na—Si1^xx	149.986 (3)	C2D^xxxviii—C2D—C2B	97 (10)
O1^xxviii—Na—Si1^xix	149.986 (3)	C2D^xxxix—C2D—C2B	97 (10)
O1^xxvi—Na—Si1^xx	30.014 (2)	C2D^vi—C2D—C2C^xxxiii	62 (10)
O1^xxvii—Na—Si1^xxii	30.014 (3)	C2D^vi—C2D—C2C^xxxiv	62 (10)
O1^xxiv—Na—Si1^xx	90.000 (1)	C2D^vi—C2D—C2D^xxxviii	120.00 (9)
O1^xxvi—Na—Si1^xix	149.986 (3)	C2D^xxxviii—C2D—C2D^xxxix	60.00 (4)
O1^xxiv—Na—Si1^xviii	30.014 (2)	C2D^vi—C2D—C2D^xxxix	120.00 (5)
O1^xxviii—Na—Si1^xx	30.014 (2)	C2D^xxxviii—C2D—C2E^xxxi	83 (10)
O1^xxvi—Na—Si1^xxi	90.0	C2D^vi—C2D—C2E^xxxi	51 (7)
O1^xxv—Na—Si1^xix	30.014 (2)	C2D^vi—C2D—C2E^xxxv	51 (7)
O1^xxv—Na—Si1^xxii	149.986 (3)	C2D^vi—C2D—C2E^xxxiv	74 (6)
O1^xxiv—Na—Si1^xxii	149.986 (3)	C2D^xxxviii—C2D—C2E^xxxiv	54 (8)
O1^xxix—Na—O1^xxiv	120.000 (1)	C2D^xxxix—C2D—C2E^xxxiv	107 (9)
O1^xxv—Na—O1^xxiv	60.000 (1)	C2D^xxxviii—C2D—C2E^xxxv	130 (10)
O1^xxv—Na—O1^xxvii	120.000 (1)	C2D^vi—C2D—C2E^xxxviii	87 (10)
O1^xxvi—Na—O1^xxv	180.0	C2D^xxxix—C2D—C2E^xxxv	83 (10)
O1^xxviii—Na—O1^xxvii	120.000 (1)	C2D^vi—C2D—C2E^xxxix	87 (10)
O1^xxvi—Na—O1^xxvii	60.000 (1)	C2D^xxxix—C2D—C2E^xxxi	130 (10)
O1^xxix—Na—O1^xxvi	120.000 (1)	C2E^xxxviii—C2D—C2B	85 (10)
O1^xxviii—Na—O1^xxiv	60.000 (1)	C2E^xxxix—C2D—C2B	85 (10)
O1^xxviii—Na—O1^xxvi	60.0	C2E^xxxviii—C2D—C2D^xxxviii	117 (10)
O1^xxix—Na—O1^xxvii	60.000 (1)	C2E^xxxviii—C2D—C2D^xxxix	57 (10)
O1^xxix—Na—O1^xxv	60.0	C2E^xxxix—C2D—C2D^xxxix	117 (10)
O1^xxvi—Na—O1^xxiv	120.000 (1)	C2E^xxxix—C2D—C2D^xxxviii	57 (10)
O1^xxviii—Na—O1^xxv	120.000 (1)	C2E^xxxix—C2D—C2E^xxxiv	23 (8)
O1^xxiv—Na—O1^xxvii	180.0	C2E^xxxviii—C2D—C2E^xxxiv	145 (10)
O1^xxix—Na—O1^xxviii	180.0	C2E^xxxviii—C2D—C2E^xxxix	168 (10)
O1^xxv—Na—C2D^xxxii	100 (3)	C2E^xxxv—C2D—C2E^xxxiv	118 (10)
O1^xxiv—Na—C2D^xxxii	100 (3)	C2E^xxxi—C2D—C2E^xxxiv	29 (6)
O1^xxviii—Na—C2D^xxxii	90.000 (13)	C2E^xxxviii—C2D—C2E^xxxv	36 (10)
O1^xxiv—Na—C2D^xxxi	90.00 (2)	C2E^xxxviii—C2D—C2E^xxxi	137 (10)
O1^xxiv—Na—C2D^xxx	90.000 (7)	C2E^xxxv—C2D—C2E^xxxi	102 (10)
O1^xxvii—Na—C2D^xxx	90.00 (3)	C2E^xxxix—C2D—C2E^xxxv	137 (10)
O1^xxvi—Na—C2D^xxxii	80 (3)	C2E^xxxix—C2D—C2E^xxxi	36 (10)
O1^xxix—Na—C2D^xxx	80 (3)	C2B^vi—C2E—C2B^xxxiv	60 (10)
O1^xxv—Na—C2D^xxx	80 (3)	C2B^xxxiii—C2E—C2B^xxxiv	53 (10)
O1^xxvii—Na—C2D^xxxii	80 (3)	C2B^vi—C2E—C2B^xxxiii	60 (10)
O1^xxix—Na—C2D^xxxii	90.00 (2)	C2B^xxxiii—C2E—C2C	57 (7)
O1^xxviii—Na—C2D^xxx	100 (3)	C2B^vi—C2E—C2C	109 (10)
O1^xxvi—Na—C2D^xxxi	80 (3)	C2B^xxxiv—C2E—C2C	57 (7)
O1^xxviii—Na—C2D^xxxi	80 (3)	C2B^vi—C2E—C2D^xxxvii	62 (9)
O1^xxvi—Na—C2D^xxx	100 (3)	C2B^vi—C2E—C2D^xxxvi	62 (9)
O1^xxv—Na—C2D^xxxi	100 (3)	C2C^viii—C2E—C2B^vi	89 (10)
O1^xxvii—Na—C2D^xxxi	90.000 (4)	C2C^vii—C2E—C2B^xxxiv	69 (10)
O1^xxix—Na—C2D^xxxi	100 (3)	C2C^viii—C2E—C2B^xxxiii	69 (10)
C2D^xxxi—Na—C2D^xxx	180.0	C2C^viii—C2E—C2B^xxxiv	122 (10)
C2D^xxxi—Na—C2D^xxxii	160 (7)	C2C^vii—C2E—C2B^xxxiii	122 (10)
C2D^xxx—Na—C2D^xxxii	20 (7)	C2C^vii—C2E—C2B^vi	89 (10)
C2B^xxxiii—C2B—C2B^xxxiv	60.00 (3)	C2C^viii—C2E—C2C^vii	165 (10)
C2B^xxxiii—C2B—C2B^vi	59.998 (16)	C2C^viii—C2E—C2C	97 (7)
C2B^vi—C2B—C2B^xxxiv	60.00 (2)	C2C^vii—C2E—C2C	97 (7)
C2D^viii—C2B—C2B^xxxiii	83 (10)	C2C^vii—C2E—C2D^xxxvii	143 (10)
C2D^xxxi—C2B—C2B^vi	116 (10)	C2C^vii—C2E—C2D^xxxvi	45 (10)
C2D^xxxv—C2B—C2B^vi	116 (10)	C2C^viii—C2E—C2D^xxxvi	143 (10)
C2D^vii—C2B—C2B^xxxiii	27 (10)	C2C^vii—C2E—C2D^xxxviii	120 (10)
C2D^viii—C2B—C2B^vi	83 (10)	C2C^viii—C2E—C2D^xxxvii	45 (10)
C2D—C2B—C2B^xxxiii	83 (10)	C2C^viii—C2E—C2D^xxxviii	55 (10)
C2D^xxxv—C2B—C2B^xxxiv	116 (10)	C2C^viii—C2E—C2D^xxxix	120 (10)
C2D^vii—C2B—C2B^vi	83 (10)	C2C^vii—C2E—C2D^xxxix	55 (10)
C2D^vi—C2B—C2B^xxxiv	116 (10)	C2D^xxxviii—C2E—C2B^xxxiii	55 (10)
C2D^xxxv—C2B—C2B^xxxiii	65 (10)	C2D^xxxvii—C2E—C2B^xxxiv	76 (10)
C2D^vii—C2B—C2B^xxxiv	83 (10)	C2D^xxxix—C2E—C2B^xxxiv	55 (10)
C2D^viii—C2B—C2B^xxxiv	27 (10)	C2D^xxxix—C2E—C2B^xxxiii	85 (10)
C2D^vi—C2B—C2B^xxxiii	116 (10)	C2D^xxxix—C2E—C2B^vi	34 (10)
C2D^xxxi—C2B—C2B^xxxiii	116 (10)	C2D^xxxvi—C2E—C2B^xxxiv	24 (10)
C2D^vi—C2B—C2B^vi	65 (10)	C2D^xxxviii—C2E—C2B^vi	34 (10)
C2D^xxxi—C2B—C2B^xxxiv	65 (10)	C2D^xxxvi—C2E—C2B^xxxiii	76 (10)
C2D—C2B—C2B^vi	27 (10)	C2D^xxxvii—C2E—C2B^xxxiii	24 (10)
C2D—C2B—C2B^xxxiv	83 (10)	C2D^xxxviii—C2E—C2B^xxxiv	85 (10)
C2D^xxxv—C2B—C2D^vii	38 (10)	C2D^xxxvi—C2E—C2C	74 (10)
C2D^xxxv—C2B—C2D^xxxi	117 (10)	C2D^xxxviii—C2E—C2C	112 (10)
C2D^vi—C2B—C2D	38 (10)	C2D^xxxvii—C2E—C2C	74 (10)
C2D^vii—C2B—C2D	101 (10)	C2D^xxxix—C2E—C2C	112 (10)
C2D^xxxi—C2B—C2D^viii	38 (10)	C2D^xxxviii—C2E—C2D^xxxix	66 (10)
C2D^vi—C2B—C2D^viii	121 (10)	C2D^xxxvii—C2E—C2D^xxxvi	98 (10)
C2D^viii—C2B—C2D^vii	101 (10)	C2D^xxxviii—C2E—C2D^xxxvi	94 (10)
C2D^xxxi—C2B—C2D^vii	121 (10)	C2D^xxxviii—C2E—C2D^xxxvii	41 (10)
C2D^xxxv—C2B—C2D	121 (10)	C2D^xxxix—C2E—C2D^xxxvii	94 (10)
C2D^xxxv—C2B—C2D^vi	117 (10)	C2D^xxxix—C2E—C2D^xxxvi	41 (10)
C2D^xxxv—C2B—C2D^viii	121 (10)	C2E^vii—C2E—C2B^xxxiii	46 (8)
C2D^vi—C2B—C2D^vii	121 (10)	C2E^viii—C2E—C2B^xxxiv	46 (8)
C2D^xxxi—C2B—C2D^vi	117 (10)	C2E^viii—C2E—C2B^vi	106 (10)
C2D^viii—C2B—C2D	101 (10)	C2E^vii—C2E—C2B^xxxiv	76 (3)
C2D^xxxi—C2B—C2D	121 (10)	C2E^vii—C2E—C2B^vi	106 (10)
C2D^xxxi—C2B—C2E^xxxi	168 (10)	C2E^viii—C2E—C2B^xxxiii	76 (3)
C2D^vi—C2B—C2E^xxxv	60.3 (16)	C2E^viii—C2E—C2C^vii	67 (7)
C2D^xxxv—C2B—C2E^xxxi	60.3 (16)	C2E^vii—C2E—C2C	30.01 (14)
C2D^xxxi—C2B—C2E^vi	60.3 (15)	C2E^vii—C2E—C2C^viii	67 (7)
C2D^vi—C2B—C2E^vi	168 (10)	C2E^vii—C2E—C2C^vii	127 (7)
C2D^xxxi—C2B—C2E^xxxv	60.3 (16)	C2E^viii—C2E—C2C	30.01 (14)
C2D^xxxv—C2B—C2E^vi	60.3 (15)	C2E^viii—C2E—C2C^viii	127 (7)
C2D^vi—C2B—C2E^xxxi	60.3 (15)	C2E^vii—C2E—C2D^xxxviii	93 (10)
C2D^xxxv—C2B—C2E^xxxv	168 (10)	C2E^viii—C2E—C2D^xxxvi	51 (7)
C2E^xxxv—C2B—C2B^xxxiii	126 (10)	C2E^viii—C2E—C2D^xxxviii	126 (10)
C2E^vi—C2B—C2B^vi	126 (10)	C2E^viii—C2E—C2D^xxxix	93 (10)
C2E^xxxv—C2B—C2B^xxxiv	74 (10)	C2E^vii—C2E—C2D^xxxvi	97 (10)
C2E^xxxi—C2B—C2B^xxxiv	126 (10)	C2E^viii—C2E—C2D^xxxvii	97 (10)
C2E^vi—C2B—C2B^xxxiv	74 (10)	C2E^vii—C2E—C2D^xxxix	126 (10)
C2E^xxxi—C2B—C2B^vi	74 (10)	C2E^vii—C2E—C2D^xxxvii	51 (7)
C2E^xxxv—C2B—C2B^vi	74 (10)	C2E^viii—C2E—C2E^vii	60.00 (4)

Symmetry codes: (i) y−1/4, −x, z+3/4; (ii) −x, y−1/4, z+3/4; (iii) −x+1/4, −y+1/4, z; (iv) −z+1/4, −y+1/4, x; (v) x−1/2, y−1/2, z; (vi) −x+3/4, −y+3/4, z; (vii) z, x, y; (viii) y, z, x; (ix) y−1/4, −x+1, z−1/4; (x) −y+1, x−1/4, z−1/4; (xi) −y+1/4, x, −z+1/4; (xii) y, −x+1/4, −z+1/4; (xiii) y, −z+3/4, −x−1/4; (xiv) −y, x+1/4, z−3/4; (xv) −y+1/2, x−1/4, z−3/4; (xvi) z, −y+1/4, −x+1/4; (xvii) x, y−1/2, z−1/2; (xviii) z, x+1/2, y+1/2; (xix) y+1/2, z, x+1/2; (xx) −y+1/2, −z+1, −x+1/2; (xxi) −z+1, −x+1/2, −y+1/2; (xxii) x+1/2, y+1/2, z; (xxiii) −x+1/2, −y+1/2, −z+1; (xxiv) −y+3/4, x+1/2, −z+1/4; (xxv) x+1/2, −y+3/4, −z+1/4; (xxvi) −x+1/2, y+1/4, z+3/4; (xxvii) y+1/4, −x+1/2, z+3/4; (xxviii) z+3/4, y+1/4, −x+1/2; (xxix) −z+1/4, −y+3/4, x+1/2; (xxx) x+1/4, −z+1, y+1/4; (xxxi) −x+3/4, z, −y+3/4; (xxxii) x+1/4, y+1/4, −z+1; (xxxiii) y, −x+3/4, −z+3/4; (xxxiv) −y+3/4, x, −z+3/4; (xxxv) z, −y+3/4, −x+3/4; (xxxvi) −z+3/4, −y+3/4, x; (xxxvii) −x+3/4, −z+3/4, y; (xxxviii) y, −z+3/4, −x+3/4; (xxxix) −z+3/4, x, −y+3/4.

(150k_mcl) top

Crystal data top

0.02(C₁₆O₂₇₂Si₁₃₆)·0.02(C_25.19)	F(000) = 4301
M_r = 143.59	D_x = 1.941 Mg m⁻³
Monoclinic, A2/n	Mo Kα radiation, λ = 0.71073 Å
a = 23.834 (5) Å	Cell parameters from 61815 reflections
b = 13.760 (5) Å	θ = 3–67°
c = 23.833 (3) Å	µ = 0.70 mm⁻¹
β = 109.47°	T = 150 K
V = 7369 (3) Å³	Platelet
Z = 60

Data collection top

StoeStadiVari diffractometer	θ_max = 33.3°, θ_min = 2.1°
92644 measured reflections	h = −20→36
19202 independent reflections	k = −20→21
8416 reflections with I > 2σ(I)	l = −36→28
R_int = 0.113

Refinement top

Refinement on F²	533 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.064	w = 1/[σ²(F_o²) + (0.1P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.186	(Δ/σ)_max = 0.199
S = 0.84	Δρ_max = 0.98 e Å⁻³
19202 reflections	Δρ_min = −1.07 e Å⁻³

Special details top

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1A	0.01255 (5)	0.99955 (9)	0.14425 (5)	0.01022 (19)
Si1B	0.18526 (6)	0.19888 (9)	0.25447 (6)	0.0127 (2)
Si1C	0.18581 (6)	0.78647 (9)	0.25715 (6)	0.0116 (2)
Si1D	0.99762 (6)	0.31274 (10)	0.43514 (6)	0.0137 (2)
Si1E	0.99739 (6)	0.69119 (9)	0.43333 (5)	0.0127 (2)
Si1F	0.18500 (6)	0.88666 (9)	0.57111 (6)	0.0139 (2)
Si1G	0.18681 (6)	0.11637 (9)	0.56426 (6)	0.0134 (2)
Si1H	0.18305 (6)	0.31283 (9)	0.36969 (6)	0.0139 (2)
Si1I	0.18267 (6)	0.68923 (9)	0.37785 (6)	0.0139 (2)
Si1J	0.13089 (6)	0.99395 (10)	0.25838 (5)	0.0130 (2)
Si1K	0.11160 (6)	0.81703 (10)	0.44057 (6)	0.0141 (2)
Si1L	0.11105 (6)	0.19243 (10)	0.43494 (6)	0.0136 (2)
Si2A	0.89241 (5)	0.99623 (10)	0.17242 (5)	0.0122 (2)
Si2B	0.10943 (6)	0.67865 (9)	0.14082 (6)	0.0119 (2)
Si2C	0.89395 (6)	0.18440 (9)	0.35575 (6)	0.0134 (2)
Si2D	0.07433 (6)	0.00137 (10)	0.35939 (5)	0.0123 (2)
Si3	0.93746 (6)	0.99888 (10)	0.30891 (6)	0.0144 (2)
O1A	0.2500	0.2135 (5)	0.2500	0.0329 (14)
O1B	0.2500	0.7757 (5)	0.2500	0.0295 (13)
O1C	0.0096 (3)	0.9024 (3)	0.1072 (2)	0.0411 (12)
O1D	0.2497 (2)	0.8392 (4)	0.5921 (3)	0.0426 (12)
O1E	0.9997 (2)	0.3407 (3)	0.50121 (17)	0.0264 (8)
O1F	0.3549 (2)	0.6532 (4)	0.49968 (19)	0.0359 (11)
O1G	0.1463 (2)	0.8375 (4)	0.50924 (19)	0.0375 (11)
O1H	0.1576 (2)	0.2469 (4)	0.4109 (2)	0.0380 (11)
O1I	0.1699 (2)	0.8985 (3)	0.2574 (2)	0.0311 (9)
O1J	0.1555 (2)	0.7677 (3)	0.4116 (2)	0.0342 (11)
O1K	0.0155 (2)	0.0916 (3)	0.1047 (2)	0.0340 (10)
O1L	0.25168 (19)	0.1620 (3)	0.57747 (19)	0.0294 (9)
O1M	0.1735 (2)	0.0855 (3)	0.2592 (2)	0.0313 (9)
O2A	0.1360 (2)	0.7348 (3)	0.20245 (18)	0.0291 (9)
O2B	0.8640 (2)	0.2622 (4)	0.3050 (2)	0.0416 (12)
O2C	0.8595 (3)	0.9041 (4)	0.1349 (2)	0.0414 (12)
O2D	0.0600 (2)	0.7414 (4)	0.0931 (2)	0.0410 (12)
O2E	0.9444 (2)	0.2362 (4)	0.4089 (2)	0.0360 (11)
O2F	0.0810 (3)	0.1045 (4)	0.3915 (2)	0.0411 (12)
O2G	0.8462 (2)	0.1356 (4)	0.37968 (19)	0.0331 (10)
O2H	0.1161 (2)	0.9935 (4)	0.3192 (2)	0.0377 (11)
O2I	0.0891 (3)	0.9192 (4)	0.4086 (2)	0.0440 (14)
O2J	0.1614 (2)	0.6542 (4)	0.11477 (19)	0.0359 (11)
O2K	0.8555 (3)	0.0907 (4)	0.1469 (3)	0.0573 (17)
O2L	0.9565 (2)	0.0082 (4)	0.1657 (2)	0.0379 (12)
O3A	0.07115 (18)	0.9973 (3)	0.20203 (18)	0.0292 (8)
O3B	0.1901 (2)	0.0005 (3)	0.5638 (3)	0.0375 (9)
O3C	0.9408 (2)	0.2337 (4)	0.0636 (2)	0.0326 (10)
O3D	0.0560 (2)	0.7480 (4)	0.4354 (2)	0.0367 (11)
O3E	0.1860 (2)	0.7347 (3)	0.31766 (18)	0.0302 (9)
O3F	0.1804 (3)	0.2549 (4)	0.3113 (2)	0.0412 (13)
O4A	0.00687 (18)	0.9907 (4)	0.3164 (2)	0.0306 (9)
O4B	0.9257 (3)	0.1054 (4)	0.3279 (3)	0.0525 (16)
O4C	0.8993 (2)	0.9800 (4)	0.24046 (18)	0.0370 (12)
O4D	0.9210 (3)	0.9208 (4)	0.3497 (2)	0.0457 (14)
C1A	0.0000	0.2500	0.2500	0.048 (3)
C1B	0.0000	0.2500	0.7500	0.051 (3)
C1C	0.7500	0.0023 (9)	0.2500	0.047 (2)
C1D	0.0000	0.0000	0.5000	0.049 (3)
C2A	0.8139 (10)	0.4134 (16)	0.4082 (10)	0.050*	0.42 (2)
C2B	0.3017 (13)	0.908 (2)	0.4048 (13)	0.050*	0.32 (2)
C2C	0.8257 (17)	0.094 (3)	−0.0377 (16)	0.050*	0.24 (2)
C2D	0.2735 (17)	0.071 (3)	0.4444 (17)	0.050*	0.24 (2)
C2E	0.1851 (15)	0.007 (3)	0.1213 (15)	0.050*	0.28 (2)
C2F	0.1815 (17)	0.945 (3)	0.1121 (17)	0.050*	0.24 (2)
C2G	0.1778 (15)	0.586 (2)	0.5341 (14)	0.050*	0.28 (2)
C2H	0.254 (2)	−0.004 (3)	0.452 (2)	0.050*	0.21 (3)
C2I	0.2929 (15)	−0.013 (2)	0.4778 (15)	0.050*	0.27 (2)
C2J	0.2816 (19)	0.922 (3)	0.4566 (18)	0.050*	0.23 (2)
C2K	0.870 (2)	0.504 (4)	0.446 (3)	0.050*	0.18 (3)
C2L	0.877 (2)	0.498 (3)	0.478 (2)	0.050*	0.21 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1A	0.0146 (5)	0.0091 (5)	0.0093 (5)	−0.0010 (5)	0.0069 (4)	−0.0003 (4)
Si1B	0.0133 (6)	0.0125 (5)	0.0139 (5)	0.0011 (4)	0.0065 (5)	0.0019 (4)
Si1C	0.0126 (6)	0.0129 (5)	0.0112 (5)	−0.0004 (4)	0.0063 (5)	−0.0018 (4)
Si1D	0.0179 (7)	0.0124 (5)	0.0098 (5)	−0.0018 (5)	0.0032 (5)	0.0028 (4)
Si1E	0.0172 (6)	0.0103 (5)	0.0099 (5)	0.0013 (5)	0.0036 (5)	−0.0025 (4)
Si1F	0.0129 (6)	0.0158 (6)	0.0132 (5)	0.0008 (5)	0.0045 (5)	0.0020 (4)
Si1G	0.0138 (6)	0.0164 (6)	0.0109 (5)	−0.0008 (5)	0.0053 (5)	−0.0015 (4)
Si1H	0.0147 (6)	0.0102 (5)	0.0195 (6)	0.0004 (5)	0.0091 (5)	0.0005 (4)
Si1I	0.0145 (6)	0.0110 (5)	0.0186 (6)	−0.0006 (4)	0.0087 (5)	0.0006 (4)
Si1J	0.0158 (5)	0.0118 (5)	0.0136 (5)	−0.0001 (5)	0.0080 (4)	−0.0007 (4)
Si1K	0.0184 (7)	0.0142 (6)	0.0106 (5)	0.0038 (5)	0.0061 (5)	0.0027 (4)
Si1L	0.0163 (6)	0.0148 (6)	0.0107 (5)	−0.0035 (5)	0.0060 (5)	−0.0013 (4)
Si2A	0.0116 (5)	0.0126 (5)	0.0132 (5)	0.0001 (5)	0.0053 (4)	0.0021 (4)
Si2B	0.0134 (6)	0.0120 (5)	0.0106 (5)	−0.0005 (5)	0.0045 (4)	0.0010 (4)
Si2C	0.0157 (6)	0.0117 (5)	0.0127 (5)	−0.0005 (5)	0.0046 (5)	−0.0010 (4)
Si2D	0.0167 (5)	0.0115 (5)	0.0086 (5)	0.0013 (5)	0.0042 (4)	0.0004 (4)
Si3	0.0175 (5)	0.0137 (5)	0.0139 (5)	−0.0030 (5)	0.0078 (4)	−0.0012 (5)
O1A	0.016 (3)	0.027 (3)	0.061 (4)	0.000	0.020 (3)	0.000
O1B	0.020 (3)	0.032 (3)	0.043 (4)	0.000	0.019 (3)	0.000
O1C	0.066 (4)	0.026 (2)	0.032 (2)	−0.003 (2)	0.017 (2)	−0.0186 (18)
O1D	0.021 (2)	0.050 (3)	0.056 (3)	0.017 (2)	0.012 (2)	0.007 (2)
O1E	0.041 (2)	0.0251 (19)	0.0139 (16)	0.0012 (18)	0.0096 (15)	0.0018 (14)
O1F	0.039 (3)	0.045 (3)	0.0191 (19)	−0.004 (2)	0.0044 (18)	−0.0127 (18)
O1G	0.045 (3)	0.044 (3)	0.019 (2)	−0.010 (2)	0.0054 (19)	−0.0102 (18)
O1H	0.038 (3)	0.046 (3)	0.039 (3)	−0.012 (2)	0.025 (2)	0.007 (2)
O1I	0.032 (2)	0.0169 (18)	0.045 (3)	0.0042 (16)	0.013 (2)	−0.0020 (17)
O1J	0.037 (3)	0.034 (2)	0.041 (3)	0.0065 (19)	0.025 (2)	−0.0076 (19)
O1K	0.048 (3)	0.024 (2)	0.030 (2)	−0.0009 (19)	0.013 (2)	0.0176 (17)
O1L	0.022 (2)	0.038 (2)	0.029 (2)	−0.0120 (17)	0.0098 (17)	−0.0094 (17)
O1M	0.028 (2)	0.0183 (19)	0.046 (3)	−0.0073 (16)	0.010 (2)	0.0020 (17)
O2A	0.028 (2)	0.037 (2)	0.023 (2)	−0.0073 (18)	0.0093 (17)	−0.0150 (17)
O2B	0.029 (2)	0.050 (3)	0.038 (3)	0.000 (2)	0.000 (2)	0.027 (2)
O2C	0.052 (3)	0.034 (3)	0.040 (3)	−0.024 (2)	0.017 (2)	−0.007 (2)
O2D	0.038 (3)	0.050 (3)	0.029 (2)	0.027 (2)	0.003 (2)	0.008 (2)
O2E	0.042 (3)	0.035 (2)	0.023 (2)	−0.023 (2)	0.0005 (19)	0.0012 (18)
O2F	0.052 (3)	0.030 (2)	0.040 (3)	−0.010 (2)	0.013 (2)	−0.017 (2)
O2G	0.029 (2)	0.050 (3)	0.0237 (19)	−0.021 (2)	0.0141 (18)	−0.0056 (18)
O2H	0.035 (2)	0.061 (3)	0.023 (2)	0.004 (2)	0.0184 (18)	0.002 (2)
O2I	0.065 (4)	0.033 (3)	0.042 (3)	0.024 (2)	0.029 (3)	0.025 (2)
O2J	0.027 (2)	0.058 (3)	0.026 (2)	0.004 (2)	0.0135 (19)	−0.009 (2)
O2K	0.077 (5)	0.034 (3)	0.063 (4)	0.035 (3)	0.026 (4)	0.012 (3)
O2L	0.0198 (18)	0.067 (4)	0.035 (2)	−0.006 (2)	0.0195 (18)	−0.004 (2)
O3A	0.0262 (19)	0.032 (2)	0.0231 (18)	−0.0005 (19)	0.0000 (14)	0.0040 (17)
O3B	0.045 (3)	0.0187 (17)	0.052 (3)	−0.003 (2)	0.021 (2)	0.0018 (19)
O3C	0.029 (2)	0.039 (2)	0.032 (2)	0.0125 (19)	0.0134 (19)	0.0027 (18)
O3D	0.031 (3)	0.048 (3)	0.036 (2)	−0.022 (2)	0.018 (2)	−0.011 (2)
O3E	0.041 (3)	0.035 (2)	0.0202 (19)	0.0010 (19)	0.0173 (18)	0.0098 (16)
O3F	0.058 (3)	0.039 (3)	0.038 (3)	−0.014 (2)	0.032 (3)	−0.019 (2)
O4A	0.0186 (17)	0.047 (3)	0.026 (2)	0.0008 (18)	0.0068 (15)	−0.0094 (18)
O4B	0.064 (4)	0.021 (2)	0.095 (5)	0.002 (2)	0.056 (4)	−0.010 (3)
O4C	0.024 (2)	0.072 (4)	0.0152 (17)	−0.015 (2)	0.0059 (15)	0.0023 (19)
O4D	0.070 (4)	0.041 (3)	0.023 (2)	−0.035 (3)	0.011 (2)	0.0027 (19)
C1A	0.061 (8)	0.042 (6)	0.045 (6)	−0.007 (5)	0.024 (6)	0.012 (5)
C1B	0.061 (8)	0.038 (6)	0.062 (7)	0.006 (5)	0.032 (7)	−0.005 (5)
C1C	0.035 (5)	0.053 (7)	0.044 (6)	0.000	0.001 (4)	0.000
C1D	0.064 (7)	0.058 (7)	0.037 (5)	−0.003 (6)	0.033 (5)	−0.002 (5)

Geometric parameters (Å, º) top

Si1A—O1C	1.590 (4)	O2I—C1Dⁱ	3.685 (5)
Si1A—O1Kⁱ	1.593 (4)	O2J—Si1Gⁱⁱⁱ	1.604 (4)
Si1A—O2Lⁱⁱ	1.586 (4)	O2J—C1C^iv	3.866 (9)
Si1A—O3A	1.602 (4)	O2J—C1Dⁱⁱⁱ	4.446 (5)
Si1A—C1Aⁱ	4.3384 (16)	O2K—Si1H^iv	1.588 (5)
Si1A—C1Bⁱⁱⁱ	4.3285 (16)	O2K—Si2A^xvi	1.574 (5)
Si1B—O1A	1.5945 (15)	O2K—C1A^vi	4.130 (8)
Si1B—O1M	1.595 (4)	O2K—C1C	4.239 (7)
Si1B—O2B^iv	1.602 (5)	O2L—Si1A^xix	1.586 (4)
Si1B—O3F	1.596 (4)	O2L—Si2A^xvi	1.597 (4)
Si1B—C1A	4.4372 (16)	O2L—C1A^vi	3.846 (5)
Si1B—C1C^iv	4.406 (12)	O2L—C1B^xx	4.044 (6)
Si1C—O1B	1.6017 (14)	O3A—C1Aⁱ	4.191 (5)
Si1C—O1I	1.588 (4)	O3A—C1Bⁱⁱⁱ	4.130 (5)
Si1C—O2A	1.607 (4)	O3B—Si1F^xvi	1.586 (5)
Si1C—O3E	1.607 (4)	O3B—C1C^xiv	4.185 (6)
Si1C—C1Bⁱⁱⁱ	4.4034 (16)	O3B—C1D	4.273 (5)
Si1C—C1C^iv	4.281 (12)	O3C—Si1D^v	1.592 (4)
Si1D—O1E	1.606 (4)	O3C—Si1L^iv	1.609 (4)
Si1D—O1K^iv	1.592 (4)	O3C—C1A^vi	4.195 (5)
Si1D—O2E	1.607 (5)	O3C—C1D^ix	4.375 (5)
Si1D—O3C^v	1.592 (4)	O3D—Si1E^xxi	1.587 (4)
Si1D—C1A^vi	4.5149 (13)	O3D—C1Bⁱⁱⁱ	4.167 (5)
Si1D—C1D^vi	4.567 (2)	O3D—C1Dⁱ	4.190 (5)
Si1E—O1C^vii	1.586 (4)	O3E—C1Bⁱⁱⁱ	4.188 (5)
Si1E—O1E^viii	1.600 (4)	O3E—C1C^iv	4.147 (11)
Si1E—O2D^vii	1.599 (5)	O3F—C1A	4.055 (6)
Si1E—O3D^vi	1.587 (4)	O3F—C1C^iv	4.203 (11)
Si1E—C1B^ix	4.4644 (13)	O4A—Si2Dⁱ	1.600 (4)
Si1E—C1D^x	4.5298 (19)	O4A—Si3^xxi	1.608 (4)
Si1F—O1D	1.594 (5)	O4A—C1Aⁱ	3.884 (5)
Si1F—O1G	1.605 (5)	O4A—C1Bⁱⁱⁱ	3.651 (5)
Si1F—O2G^xi	1.614 (4)	O4A—C1Dⁱ	4.436 (4)
Si1F—O3Bⁱ	1.586 (5)	O4B—Si3^xvi	1.587 (5)
Si1F—C1C^xi	4.302 (5)	O4B—C1A^vi	3.568 (5)
Si1F—C1Dⁱ	4.4458 (18)	O4B—C1C	4.220 (8)
Si1G—O1F^xii	1.599 (5)	O4B—C1D^vi	4.150 (7)
Si1G—O1L	1.600 (4)	O4C—C1A^x	4.388 (5)
Si1G—O2J^xiii	1.604 (4)	O4C—C1B^ix	3.933 (6)
Si1G—O3B	1.596 (5)	O4C—C1Cⁱ	3.653 (5)
Si1G—C1C^xiv	4.482 (5)	O4D—Si2B^vii	1.600 (4)
Si1G—C1D	4.4931 (18)	O4D—C1B^ix	4.206 (6)
Si1H—O1D^xii	1.599 (5)	O4D—C1Cⁱ	4.130 (7)
Si1H—O1H	1.598 (4)	O4D—C1D^x	3.615 (5)
Si1H—O2K^iv	1.588 (5)	C1A—Si3^vii	4.1866 (18)
Si1H—O3F	1.587 (4)	C1A—O2B^iv	3.883 (5)
Si1H—C1A	4.4297 (17)	C1A—O2B^xxi	3.883 (5)
Si1H—C1C^iv	4.493 (7)	C1A—O2F^xxii	3.843 (6)
Si1I—O1J	1.605 (4)	C1A—O2K^xxi	4.130 (8)
Si1I—O1L^xv	1.616 (5)	C1A—O2K^iv	4.130 (8)
Si1I—O2C^vii	1.596 (5)	C1A—O2L^iv	3.846 (5)
Si1I—O3E	1.591 (4)	C1A—O2L^xxi	3.846 (5)
Si1I—C1Bⁱⁱⁱ	4.4827 (17)	C1A—O3F^xxii	4.055 (6)
Si1I—C1C^iv	4.697 (7)	C1A—O4A^xxiii	3.884 (5)
Si1J—O1I	1.614 (4)	C1A—O4A^xvi	3.884 (5)
Si1J—O1Mⁱ	1.615 (4)	C1A—O4B^xxi	3.568 (5)
Si1J—O2H	1.602 (4)	C1A—O4B^iv	3.568 (5)
Si1J—O3A	1.599 (4)	C1B—O1C^xiii	4.068 (5)
Si1J—C1Aⁱ	4.666 (2)	C1B—O1C^xxiv	4.068 (5)
Si1J—C1Bⁱⁱⁱ	4.541 (2)	C1B—O2A^xiii	3.778 (4)
Si1K—O1G	1.594 (5)	C1B—O2A^xxiv	3.778 (4)
Si1K—O1J	1.587 (4)	C1B—O2C^xi	4.137 (6)
Si1K—O2I	1.603 (5)	C1B—O2C^xxv	4.137 (6)
Si1K—O3D	1.601 (4)	C1B—O2L^xxvi	4.044 (6)
Si1K—C1Bⁱⁱⁱ	4.5278 (15)	C1B—O2L^xiv	4.044 (6)
Si1K—C1Dⁱ	4.2344 (16)	C1B—O3A^xxiv	4.130 (5)
Si1L—O1F^xii	1.592 (5)	C1B—O3A^xiii	4.130 (5)
Si1L—O1H	1.596 (4)	C1B—O4A^xiii	3.651 (5)
Si1L—O2F	1.599 (5)	C1B—O4A^xxiv	3.651 (5)
Si1L—O3C^iv	1.609 (4)	C1B—O4C^xi	3.933 (6)
Si1L—C1A	4.3913 (15)	C1B—O4C^xxv	3.933 (6)
Si1L—C1D	4.3767 (16)	C1B—O4D^xi	4.206 (6)
Si2A—O2C	1.598 (5)	C1C—O1A^iv	3.911 (15)
Si2A—O2Kⁱ	1.574 (5)	C1C—O1B^iv	3.826 (15)
Si2A—O2Lⁱ	1.597 (4)	C1C—O2A^iv	4.155 (11)
Si2A—O4C	1.591 (4)	C1C—O2A^xxvii	4.155 (11)
Si2A—C1A^x	4.362 (2)	C1C—O2G^xxviii	3.668 (8)
Si2A—C1B^ix	4.279 (2)	C1C—O2J^iv	3.866 (9)
Si2A—C1Cⁱ	4.3739 (13)	C1C—O2J^xxvii	3.866 (9)
Si2B—O2A	1.592 (4)	C1C—O3B^xxix	4.185 (6)
Si2B—O2D	1.592 (5)	C1C—O3E^iv	4.147 (11)
Si2B—O2J	1.596 (4)	C1C—O3E^xxvii	4.147 (11)
Si2B—O4D^vii	1.600 (4)	C1C—O4C^xxx	3.653 (5)
Si2B—C1Bⁱⁱⁱ	4.3660 (13)	C1C—O4C^xvi	3.653 (5)
Si2B—C1C^iv	4.287 (8)	C1C—O4D^xvi	4.130 (7)
Si2B—C1Dⁱⁱⁱ	4.2748 (17)	C1C—O4D^xxx	4.130 (7)
Si2C—O2B	1.594 (5)	C1D—O1F^xii	4.047 (5)
Si2C—O2E	1.594 (5)	C1D—O1F^xxxi	4.047 (5)
Si2C—O2G	1.582 (4)	C1D—O1G^xxiv	4.086 (6)
Si2C—O4B	1.590 (5)	C1D—O2D^xiii	3.985 (6)
Si2C—C1A^vi	4.2193 (13)	C1D—O2D^xxii	3.985 (6)
Si2C—C1C	4.317 (8)	C1D—O2E^xxi	3.889 (5)
Si2C—C1D^vi	4.3420 (17)	C1D—O2E^xiv	3.889 (5)
Si2D—O2F	1.594 (5)	C1D—O2F^xxxii	3.976 (5)
Si2D—O2H^xvi	1.599 (4)	C1D—O2I^xvi	3.685 (5)
Si2D—O2I^xvi	1.582 (4)	C1D—O2I^xxiv	3.685 (5)
Si2D—O4A^xvi	1.600 (4)	C1D—O4B^xiv	4.150 (7)
Si2D—C1A	4.3082 (18)	C1D—O4B^xxi	4.150 (7)
Si2D—C1B^xvii	4.3382 (18)	C1D—O4D^xi	3.615 (5)
Si2D—C1D	4.2811 (12)	C1D—O4D^xxxiii	3.615 (5)
Si3—O4A^vi	1.608 (4)	C2A—C2D^xxvii	1.51 (4)
Si3—O4Bⁱ	1.587 (5)	C2A—C2E^iv	1.30 (4)
Si3—O4C	1.602 (4)	C2A—C2G^xi	1.32 (4)
Si3—O4D	1.583 (4)	C2A—C2K	1.83 (6)
Si3—C1A^x	4.1866 (18)	C2B—C2C^xxxiv	1.30 (5)
Si3—C1B^ix	4.1613 (18)	C2B—C2E^xxxv	1.57 (5)
Si3—C1Cⁱ	4.2136 (16)	C2B—C2F^xviii	0.83 (4)
Si3—C1D^x	4.2939 (14)	C2B—C2J	1.48 (4)
O1A—Si1B^xviii	1.5944 (15)	C2C—C2B^xxxvi	1.30 (5)
O1A—C1C^iv	3.911 (15)	C2C—C2F^xxxvii	1.81 (5)
O1B—Si1C^xviii	1.6016 (14)	C2C—C2I^xxix	1.49 (5)
O1B—C1C^iv	3.826 (15)	C2C—C2J^xxxvi	1.04 (5)
O1C—Si1E^vii	1.586 (4)	C2C—C2K^xvii	1.76 (6)
O1C—C1Bⁱⁱⁱ	4.068 (5)	C2C—C2L^xvii	1.76 (6)
O1D—Si1H^xv	1.599 (5)	C2D—C2A^xxxi	1.51 (4)
O1D—C1C^xi	4.348 (8)	C2D—C2E^xviii	2.29 (5)
O1E—Si1E^viii	1.600 (4)	C2D—C2G^xii	1.12 (5)
O1F—Si1G^xv	1.599 (5)	C2D—C2H	1.18 (6)
O1F—Si1L^xv	1.592 (5)	C2D—C2I	1.39 (5)
O1F—C1D^xv	4.047 (5)	C2E—C2A^iv	1.30 (4)
O1G—C1Dⁱ	4.086 (6)	C2E—C2B^xxxviii	1.57 (5)
O1H—C1A	4.384 (5)	C2E—C2D^xviii	2.29 (5)
O1I—C1Bⁱⁱⁱ	4.486 (5)	C2E—C2F^xvi	0.88 (5)
O1J—C1Bⁱⁱⁱ	4.372 (5)	C2E—C2K^iv	1.71 (6)
O1K—Si1A^xvi	1.593 (4)	C2F—C2B^xviii	0.83 (4)
O1K—Si1D^iv	1.592 (4)	C2F—C2C^xxxvii	1.81 (5)
O1K—C1A	4.210 (5)	C2F—C2Eⁱ	0.88 (5)
O1L—Si1I^xii	1.616 (5)	C2F—C2K^vii	1.67 (7)
O1M—Si1J^xvi	1.615 (4)	C2G—C2A^xi	1.32 (4)
O1M—C1A	4.654 (5)	C2G—C2D^xv	1.12 (5)
O2A—C1Bⁱⁱⁱ	3.778 (4)	C2G—C2H^xv	1.99 (5)
O2A—C1C^iv	4.155 (11)	C2G—C2I^xv	1.59 (5)
O2B—Si1B^iv	1.602 (5)	C2G—C2K^xi	1.84 (6)
O2B—C1A^vi	3.883 (5)	C2G—C2L^xi	1.70 (5)
O2B—C1C	4.419 (12)	C2H—C2G^xii	1.99 (5)
O2C—Si1I^vii	1.596 (5)	C2H—C2I	0.94 (5)
O2C—C1B^ix	4.137 (6)	C2H—C2J^xvi	1.19 (6)
O2C—C1Cⁱ	4.574 (6)	C2I—C2C^xxxix	1.49 (5)
O2D—Si1E^vii	1.599 (5)	C2I—C2G^xii	1.59 (5)
O2D—C1Bⁱⁱⁱ	4.429 (5)	C2I—C2J^xvi	1.02 (5)
O2D—C1Dⁱⁱⁱ	3.985 (6)	C2I—C2K^xxxi	2.21 (6)
O2E—C1A^vi	4.413 (4)	C2J—C2C^xxxiv	1.04 (5)
O2E—C1D^vi	3.889 (5)	C2J—C2Hⁱ	1.19 (6)
O2F—C1A	3.843 (6)	C2J—C2Iⁱ	1.02 (5)
O2F—C1D	3.976 (5)	C2K—C2C^xl	1.76 (6)
O2G—Si1F^xi	1.614 (4)	C2K—C2E^iv	1.71 (7)
O2G—C1C	3.668 (8)	C2K—C2F^vii	1.67 (7)
O2G—C1D^vi	4.258 (5)	C2K—C2G^xi	1.84 (6)
O2H—Si2Dⁱ	1.599 (4)	C2K—C2I^xxvii	2.21 (6)
O2H—C1Aⁱ	4.450 (5)	C2K—C2L	0.72 (6)
O2H—C1Bⁱⁱⁱ	4.309 (6)	C2L—C2C^xl	1.76 (6)
O2I—Si2Dⁱ	1.582 (4)	C2L—C2G^xi	1.70 (5)
O2I—C1Bⁱⁱⁱ	4.344 (6)

O1C—Si1A—O1Kⁱ	110.1 (3)	O2K^iv—C1A—O2K^xxi	180.0
O1C—Si1A—O2Lⁱⁱ	110.9 (3)	O2L^xxi—C1A—Si3^vii	127.07 (7)
O1C—Si1A—O3A	109.0 (3)	O2L^iv—C1A—Si3^vii	52.93 (7)
O1C—Si1A—C1Aⁱ	172.4 (2)	O2L^xxi—C1A—O2F	88.68 (10)
O1C—Si1A—C1Bⁱⁱⁱ	69.97 (19)	O2L^iv—C1A—O2F	91.32 (10)
O1Kⁱ—Si1A—O3A	109.0 (3)	O2L^iv—C1A—O2F^xxii	88.68 (10)
O1Kⁱ—Si1A—C1Aⁱ	74.74 (18)	O2L^xxi—C1A—O2F^xxii	91.32 (10)
O1Kⁱ—Si1A—C1Bⁱⁱⁱ	178.61 (19)	O2L^xxi—C1A—O2K^iv	142.75 (10)
O2Lⁱⁱ—Si1A—O1Kⁱ	109.7 (3)	O2L^iv—C1A—O2K^xxi	142.75 (10)
O2Lⁱⁱ—Si1A—O3A	108.1 (3)	O2L^xxi—C1A—O2K^xxi	37.25 (10)
O2Lⁱⁱ—Si1A—C1Aⁱ	61.59 (19)	O2L^iv—C1A—O2K^iv	37.25 (10)
O2Lⁱⁱ—Si1A—C1Bⁱⁱⁱ	69.1 (2)	O2L^iv—C1A—O2L^xxi	180.00 (8)
O3A—Si1A—C1Aⁱ	74.04 (17)	O2L^xxi—C1A—O3F	105.75 (10)
O3A—Si1A—C1Bⁱⁱⁱ	72.17 (16)	O2L^iv—C1A—O3F^xxii	105.75 (10)
C1Bⁱⁱⁱ—Si1A—C1Aⁱ	105.09 (3)	O2L^xxi—C1A—O3F^xxii	74.25 (10)
O1A—Si1B—O2B^iv	109.8 (2)	O2L^iv—C1A—O3F	74.25 (10)
O1A—Si1B—O3F	109.9 (2)	O3F—C1A—Si3^vii	69.74 (8)
O1A—Si1B—C1A	162.9 (2)	O3F^xxii—C1A—Si3^vii	110.26 (8)
O1A—Si1B—C1C^iv	61.7 (2)	O3F^xxii—C1A—O2K^iv	142.84 (9)
O1M—Si1B—O1A	109.0 (3)	O3F—C1A—O2K^iv	37.16 (9)
O1M—Si1B—O2B^iv	107.1 (3)	O3F^xxii—C1A—O2K^xxi	37.16 (9)
O1M—Si1B—O3F	110.4 (3)	O3F—C1A—O2K^xxi	142.84 (9)
O1M—Si1B—C1A	87.70 (17)	O3F^xxii—C1A—O3F	180.0
O1M—Si1B—C1C^iv	170.21 (19)	O4A^xvi—C1A—Si3^vii	157.42 (6)
O2B^iv—Si1B—C1A	59.68 (18)	O4A^xxiii—C1A—Si3^vii	22.58 (6)
O2B^iv—Si1B—C1C^iv	80.0 (2)	O4A^xvi—C1A—O2B^iv	99.85 (10)
O3F—Si1B—O2B^iv	110.5 (3)	O4A^xxiii—C1A—O2B^xxi	99.85 (10)
O3F—Si1B—C1A	65.9 (2)	O4A^xvi—C1A—O2B^xxi	80.15 (10)
O3F—Si1B—C1C^iv	72.21 (18)	O4A^xxiii—C1A—O2B^iv	80.15 (10)
C1C^iv—Si1B—C1A	101.84 (7)	O4A^xvi—C1A—O2F^xxii	140.96 (10)
O1B—Si1C—O2A	110.30 (19)	O4A^xvi—C1A—O2F	39.04 (10)
O1B—Si1C—C1Bⁱⁱⁱ	165.8 (2)	O4A^xxiii—C1A—O2F	140.96 (10)
O1B—Si1C—C1C^iv	62.8 (2)	O4A^xxiii—C1A—O2F^xxii	39.04 (10)
O1I—Si1C—O1B	109.1 (3)	O4A^xxiii—C1A—O2K^iv	70.63 (10)
O1I—Si1C—O2A	108.6 (3)	O4A^xvi—C1A—O2K^iv	109.37 (10)
O1I—Si1C—O3E	110.9 (2)	O4A^xxiii—C1A—O2K^xxi	109.37 (10)
O1I—Si1C—C1Bⁱⁱⁱ	82.66 (17)	O4A^xvi—C1A—O2K^xxi	70.63 (10)
O1I—Si1C—C1C^iv	171.89 (18)	O4A^xxiii—C1A—O2L^iv	52.10 (10)
O2A—Si1C—C1Bⁱⁱⁱ	57.06 (14)	O4A^xvi—C1A—O2L^xxi	52.10 (10)
O2A—Si1C—C1C^iv	74.62 (18)	O4A^xxiii—C1A—O2L^xxi	127.90 (10)
O3E—Si1C—O1B	109.7 (2)	O4A^xvi—C1A—O2L^iv	127.90 (10)
O3E—Si1C—O2A	108.2 (2)	O4A^xxiii—C1A—O3F	91.55 (10)
O3E—Si1C—C1Bⁱⁱⁱ	71.74 (18)	O4A^xvi—C1A—O3F^xxii	91.55 (10)
O3E—Si1C—C1C^iv	74.35 (17)	O4A^xxiii—C1A—O3F^xxii	88.45 (10)
C1C^iv—Si1C—C1Bⁱⁱⁱ	105.12 (7)	O4A^xvi—C1A—O3F	88.45 (10)
O1E—Si1D—C1A^vi	176.27 (17)	O4A^xxiii—C1A—O4A^xvi	180.0
O1E—Si1D—C1D^vi	84.34 (16)	O4B^iv—C1A—Si3^vii	21.79 (7)
O1K^iv—Si1D—O1E	108.8 (2)	O4B^xxi—C1A—Si3^vii	158.21 (7)
O1K^iv—Si1D—O2E	109.7 (3)	O4B^xxi—C1A—O2B^xxi	39.98 (11)
O1K^iv—Si1D—C1A^vi	68.80 (18)	O4B^iv—C1A—O2B^iv	39.98 (11)
O1K^iv—Si1D—C1D^vi	163.5 (2)	O4B^iv—C1A—O2B^xxi	140.02 (11)
O2E—Si1D—O1E	107.6 (2)	O4B^xxi—C1A—O2B^iv	140.02 (11)
O2E—Si1D—C1A^vi	76.07 (16)	O4B^xxi—C1A—O2F	56.23 (14)
O2E—Si1D—C1D^vi	55.49 (19)	O4B^iv—C1A—O2F	123.77 (14)
O3C^v—Si1D—O1E	110.5 (2)	O4B^iv—C1A—O2F^xxii	56.23 (14)
O3C^v—Si1D—O1K^iv	109.8 (3)	O4B^xxi—C1A—O2F^xxii	123.77 (14)
O3C^v—Si1D—O2E	110.3 (3)	O4B^iv—C1A—O2K^iv	63.49 (15)
O3C^v—Si1D—C1A^vi	68.29 (17)	O4B^xxi—C1A—O2K^xxi	63.49 (15)
O3C^v—Si1D—C1D^vi	73.00 (18)	O4B^xxi—C1A—O2K^iv	116.51 (15)
C1A^vi—Si1D—C1D^vi	98.50 (3)	O4B^iv—C1A—O2K^xxi	116.51 (15)
O1C^vii—Si1E—O1E^viii	109.5 (3)	O4B^iv—C1A—O2L^iv	72.28 (11)
O1C^vii—Si1E—O2D^vii	109.2 (3)	O4B^iv—C1A—O2L^xxi	107.72 (11)
O1C^vii—Si1E—O3D^vi	109.4 (3)	O4B^xxi—C1A—O2L^iv	107.72 (11)
O1C^vii—Si1E—C1B^ix	65.38 (19)	O4B^xxi—C1A—O2L^xxi	72.28 (11)
O1C^vii—Si1E—C1D^x	164.2 (2)	O4B^iv—C1A—O3F	61.80 (14)
O1E^viii—Si1E—O3D^vi	110.8 (3)	O4B^xxi—C1A—O3F	118.20 (14)
O1E^viii—Si1E—C1B^ix	173.70 (16)	O4B^iv—C1A—O3F^xxii	118.20 (14)
O1E^viii—Si1E—C1D^x	85.67 (16)	O4B^xxi—C1A—O3F^xxii	61.80 (14)
O2D^vii—Si1E—O1E^viii	107.2 (2)	O4B^iv—C1A—O4A^xxiii	40.26 (10)
O2D^vii—Si1E—O3D^vi	110.8 (3)	O4B^iv—C1A—O4A^xvi	139.74 (10)
O2D^vii—Si1E—C1B^ix	78.39 (18)	O4B^xxi—C1A—O4A^xvi	40.26 (10)
O2D^vii—Si1E—C1D^x	60.2 (2)	O4B^xxi—C1A—O4A^xxiii	139.74 (10)
O3D^vi—Si1E—C1B^ix	68.98 (18)	O4B^iv—C1A—O4B^xxi	180.00 (13)
O3D^vi—Si1E—C1D^x	67.57 (18)	O1C^xxiv—C1B—O1C^xiii	180.0
C1B^ix—Si1E—C1D^x	99.80 (3)	O1C^xxiv—C1B—O2C^xi	55.96 (10)
O1D—Si1F—O2G^xi	109.0 (3)	O1C^xiii—C1B—O2C^xxv	55.96 (10)
O1D—Si1F—C1C^xi	81.0 (2)	O1C^xiii—C1B—O2C^xi	124.04 (10)
O1D—Si1F—C1Dⁱ	175.0 (2)	O1C^xxiv—C1B—O2C^xxv	124.04 (10)
O1G—Si1F—O1D	108.4 (3)	O1C^xxiv—C1B—O3A^xiii	143.06 (9)
O1G—Si1F—O2G^xi	108.9 (2)	O1C^xiii—C1B—O3A^xxiv	143.06 (9)
O1G—Si1F—C1C^xi	165.26 (19)	O1C^xxiv—C1B—O3A^xxiv	36.94 (9)
O1G—Si1F—C1Dⁱ	66.7 (2)	O1C^xiii—C1B—O3A^xiii	36.94 (9)
O2G^xi—Si1F—C1C^xi	56.53 (18)	O1C^xxiv—C1B—O4D^xi	110.18 (9)
O2G^xi—Si1F—C1Dⁱ	72.83 (19)	O1C^xiii—C1B—O4D^xi	69.82 (9)
O3Bⁱ—Si1F—O1D	109.7 (3)	O2A^xiii—C1B—O1C^xiii	58.97 (11)
O3Bⁱ—Si1F—O1G	110.9 (3)	O2A^xxiv—C1B—O1C^xxiv	58.97 (11)
O3Bⁱ—Si1F—O2G^xi	109.8 (3)	O2A^xiii—C1B—O1C^xxiv	121.03 (11)
O3Bⁱ—Si1F—C1C^xi	75.1 (3)	O2A^xxiv—C1B—O1C^xiii	121.03 (11)
O3Bⁱ—Si1F—C1Dⁱ	73.4 (2)	O2A^xxiv—C1B—O2A^xiii	180.0
C1C^xi—Si1F—C1Dⁱ	103.71 (8)	O2A^xxiv—C1B—O2C^xxv	65.45 (10)
O1F^xii—Si1G—C1C^xiv	162.56 (18)	O2A^xiii—C1B—O2C^xi	65.45 (10)
O1F^xii—Si1G—C1D	63.71 (18)	O2A^xiii—C1B—O2C^xxv	114.55 (10)
O1L—Si1G—O1F^xii	108.5 (3)	O2A^xxiv—C1B—O2C^xi	114.55 (10)
O1L—Si1G—C1C^xiv	87.94 (18)	O2A^xiii—C1B—O2L^xxvi	90.17 (10)
O1L—Si1G—C1D	171.83 (17)	O2A^xxiv—C1B—O2L^xiv	90.17 (10)
O2J^xiii—Si1G—O1F^xii	110.0 (3)	O2A^xiii—C1B—O2L^xiv	89.83 (9)
O2J^xiii—Si1G—O1L	107.8 (2)	O2A^xxiv—C1B—O2L^xxvi	89.83 (10)
O2J^xiii—Si1G—O3B	111.2 (3)	O2A^xiii—C1B—O3A^xiii	59.35 (10)
O2J^xiii—Si1G—C1C^xiv	57.6 (2)	O2A^xiii—C1B—O3A^xxiv	120.65 (10)
O2J^xiii—Si1G—C1D	78.03 (19)	O2A^xxiv—C1B—O3A^xxiv	59.35 (10)
O3B—Si1G—O1F^xii	109.0 (3)	O2A^xxiv—C1B—O3A^xiii	120.65 (10)
O3B—Si1G—O1L	110.3 (3)	O2A^xxiv—C1B—O4C^xxv	53.48 (10)
O3B—Si1G—C1C^xiv	69.0 (3)	O2A^xiii—C1B—O4C^xxv	126.52 (10)
O3B—Si1G—C1D	71.8 (2)	O2A^xxiv—C1B—O4C^xi	126.52 (10)
C1C^xiv—Si1G—C1D	100.10 (7)	O2A^xiii—C1B—O4C^xi	53.48 (10)
O1D^xii—Si1H—C1A	175.0 (2)	O2A^xiii—C1B—O4D^xi	37.79 (9)
O1D^xii—Si1H—C1C^iv	74.5 (2)	O2A^xxiv—C1B—O4D^xi	142.21 (9)
O1H—Si1H—O1D^xii	107.0 (3)	O2C^xi—C1B—O2C^xxv	180.0
O1H—Si1H—C1A	78.0 (2)	O2C^xi—C1B—O3A^xxiv	73.18 (9)
O1H—Si1H—C1C^iv	178.5 (2)	O2C^xxv—C1B—O3A^xiii	73.18 (9)
O2K^iv—Si1H—O1D^xii	109.9 (4)	O2C^xxv—C1B—O3A^xxiv	106.82 (9)
O2K^iv—Si1H—O1H	108.7 (3)	O2C^xi—C1B—O3A^xiii	106.82 (9)
O2K^iv—Si1H—C1A	68.8 (3)	O2C^xxv—C1B—O4D^xi	109.14 (10)
O2K^iv—Si1H—C1C^iv	70.6 (3)	O2C^xi—C1B—O4D^xi	70.86 (10)
O3F—Si1H—O1D^xii	110.6 (3)	O2L^xiv—C1B—O1C^xxiv	37.61 (9)
O3F—Si1H—O1H	110.0 (3)	O2L^xiv—C1B—O1C^xiii	142.39 (9)
O3F—Si1H—O2K^iv	110.6 (3)	O2L^xxvi—C1B—O1C^xiii	37.61 (9)
O3F—Si1H—C1A	66.1 (2)	O2L^xxvi—C1B—O1C^xxiv	142.39 (9)
O3F—Si1H—C1C^iv	69.3 (2)	O2L^xxvi—C1B—O2C^xxv	37.18 (9)
C1A—Si1H—C1C^iv	100.58 (4)	O2L^xxvi—C1B—O2C^xi	142.82 (9)
O1J—Si1I—O1L^xv	106.8 (3)	O2L^xiv—C1B—O2C^xxv	142.82 (9)
O1J—Si1I—C1Bⁱⁱⁱ	75.7 (2)	O2L^xiv—C1B—O2C^xi	37.18 (9)
O1J—Si1I—C1C^iv	169.7 (2)	O2L^xiv—C1B—O2L^xxvi	180.0
O1L^xv—Si1I—C1Bⁱⁱⁱ	177.17 (18)	O2L^xxvi—C1B—O3A^xiii	36.80 (8)
O1L^xv—Si1I—C1C^iv	80.35 (16)	O2L^xiv—C1B—O3A^xiii	143.20 (8)
O2C^vii—Si1I—O1J	107.7 (3)	O2L^xxvi—C1B—O3A^xxiv	143.20 (8)
O2C^vii—Si1I—O1L^xv	110.4 (3)	O2L^xiv—C1B—O3A^xxiv	36.80 (8)
O2C^vii—Si1I—O3E	111.2 (3)	O2L^xxvi—C1B—O4D^xi	107.40 (9)
O2C^vii—Si1I—C1Bⁱⁱⁱ	67.3 (2)	O2L^xiv—C1B—O4D^xi	72.60 (9)
O2C^vii—Si1I—C1C^iv	75.7 (2)	O3A^xxiv—C1B—O3A^xiii	180.00 (7)
O3E—Si1I—O1J	109.6 (3)	O3A^xiii—C1B—O4D^xi	90.09 (9)
O3E—Si1I—O1L^xv	110.9 (2)	O3A^xxiv—C1B—O4D^xi	89.91 (9)
O3E—Si1I—C1Bⁱⁱⁱ	69.10 (18)	O4A^xiii—C1B—O1C^xiii	83.55 (10)
O3E—Si1I—C1C^iv	60.3 (2)	O4A^xxiv—C1B—O1C^xxiv	83.55 (10)
C1Bⁱⁱⁱ—Si1I—C1C^iv	97.36 (4)	O4A^xiii—C1B—O1C^xxiv	96.45 (10)
O1I—Si1J—C1Aⁱ	173.76 (18)	O4A^xxiv—C1B—O1C^xiii	96.45 (10)
O1I—Si1J—C1Bⁱⁱⁱ	77.77 (17)	O4A^xxiv—C1B—O2A^xiii	74.87 (9)
O1Mⁱ—Si1J—O1I	105.8 (2)	O4A^xxiv—C1B—O2A^xxiv	105.13 (10)
O1Mⁱ—Si1J—C1Aⁱ	79.63 (17)	O4A^xiii—C1B—O2A^xiii	105.13 (10)
O1Mⁱ—Si1J—C1Bⁱⁱⁱ	175.99 (18)	O4A^xiii—C1B—O2A^xxiv	74.87 (9)
O2H—Si1J—O1I	108.1 (3)	O4A^xxiv—C1B—O2C^xi	74.43 (10)
O2H—Si1J—O1Mⁱ	108.6 (3)	O4A^xiii—C1B—O2C^xi	105.57 (10)
O2H—Si1J—C1Aⁱ	72.33 (19)	O4A^xxiv—C1B—O2C^xxv	105.57 (10)
O2H—Si1J—C1Bⁱⁱⁱ	71.5 (2)	O4A^xiii—C1B—O2C^xxv	74.43 (10)
O3A—Si1J—O1I	111.5 (3)	O4A^xxiv—C1B—O2L^xxvi	127.95 (10)
O3A—Si1J—O1Mⁱ	111.6 (2)	O4A^xiii—C1B—O2L^xiv	127.95 (10)
O3A—Si1J—O2H	111.0 (3)	O4A^xxiv—C1B—O2L^xiv	52.05 (10)
O3A—Si1J—C1Aⁱ	63.06 (17)	O4A^xiii—C1B—O2L^xxvi	52.05 (10)
O3A—Si1J—C1Bⁱⁱⁱ	65.05 (16)	O4A^xxiv—C1B—O3A^xiii	126.23 (10)
C1Bⁱⁱⁱ—Si1J—C1Aⁱ	96.69 (3)	O4A^xiii—C1B—O3A^xiii	53.77 (10)
O1G—Si1K—C1Bⁱⁱⁱ	175.20 (19)	O4A^xxiv—C1B—O3A^xxiv	53.77 (10)
O1G—Si1K—C1Dⁱ	73.8 (2)	O4A^xiii—C1B—O3A^xxiv	126.23 (10)
O1J—Si1K—O1G	109.3 (3)	O4A^xxiv—C1B—O4A^xiii	180.0
O1J—Si1K—O2I	109.4 (3)	O4A^xxiv—C1B—O4C^xxv	140.06 (10)
O1J—Si1K—C1Bⁱⁱⁱ	74.2 (2)	O4A^xiii—C1B—O4C^xxv	39.94 (10)
O1J—Si1K—C1Dⁱ	168.34 (19)	O4A^xxiv—C1B—O4C^xi	39.94 (10)
O2I—Si1K—O1G	108.1 (3)	O4A^xiii—C1B—O4C^xi	140.06 (10)
O2I—Si1K—C1Bⁱⁱⁱ	73.2 (2)	O4A^xxiv—C1B—O4D^xi	38.02 (9)
O2I—Si1K—C1Dⁱ	59.34 (16)	O4A^xiii—C1B—O4D^xi	141.98 (9)
O3D—Si1K—O1G	108.5 (3)	O4C^xi—C1B—O1C^xiii	105.06 (9)
O3D—Si1K—O1J	111.2 (3)	O4C^xi—C1B—O1C^xxiv	74.94 (9)
O3D—Si1K—O2I	110.3 (3)	O4C^xxv—C1B—O1C^xiii	74.94 (9)
O3D—Si1K—C1Bⁱⁱⁱ	66.86 (18)	O4C^xxv—C1B—O1C^xxiv	105.06 (9)
O3D—Si1K—C1Dⁱ	77.47 (18)	O4C^xi—C1B—O2C^xxv	142.62 (9)
C1Dⁱ—Si1K—C1Bⁱⁱⁱ	103.43 (3)	O4C^xi—C1B—O2C^xi	37.38 (9)
O1F^xii—Si1L—O1H	108.8 (3)	O4C^xxv—C1B—O2C^xi	142.62 (9)
O1F^xii—Si1L—O2F	110.5 (3)	O4C^xxv—C1B—O2C^xxv	37.38 (9)
O1F^xii—Si1L—O3C^iv	109.7 (2)	O4C^xi—C1B—O2L^xxvi	141.84 (8)
O1F^xii—Si1L—C1A	169.6 (2)	O4C^xi—C1B—O2L^xiv	38.16 (8)
O1F^xii—Si1L—C1D	67.60 (19)	O4C^xxv—C1B—O2L^xiv	141.84 (8)
O1H—Si1L—O2F	109.8 (3)	O4C^xxv—C1B—O2L^xxvi	38.16 (8)
O1H—Si1L—O3C^iv	110.0 (3)	O4C^xxv—C1B—O3A^xxiv	112.34 (9)
O1H—Si1L—C1A	79.27 (19)	O4C^xi—C1B—O3A^xiii	112.34 (9)
O1H—Si1L—C1D	170.6 (2)	O4C^xxv—C1B—O3A^xiii	67.66 (9)
O2F—Si1L—O3C^iv	108.1 (3)	O4C^xi—C1B—O3A^xxiv	67.66 (9)
O2F—Si1L—C1A	59.8 (2)	O4C^xi—C1B—O4C^xxv	180.0
O2F—Si1L—C1D	65.04 (19)	O4C^xxv—C1B—O4D^xi	142.79 (9)
O3C^iv—Si1L—C1A	72.41 (17)	O4C^xi—C1B—O4D^xi	37.21 (9)
O3C^iv—Si1L—C1D	79.33 (18)	O1A^iv—C1C—O2A^xxvii	141.74 (12)
C1D—Si1L—C1A	103.38 (3)	O1A^iv—C1C—O2A^iv	141.74 (13)
O2C—Si2A—O4C	108.8 (3)	O1A^iv—C1C—O3B^xxix	90.53 (18)
O2C—Si2A—C1A^x	169.08 (17)	O1A^iv—C1C—O3E^xxvii	141.85 (12)
O2C—Si2A—C1B^ix	74.1 (2)	O1A^iv—C1C—O3E^iv	141.85 (12)
O2C—Si2A—C1Cⁱ	86.9 (2)	O1A^iv—C1C—O4D^xxx	105.75 (19)
O2Kⁱ—Si2A—O2C	109.4 (4)	O1A^iv—C1C—O4D^xvi	105.75 (19)
O2Kⁱ—Si2A—O2Lⁱ	107.8 (3)	O1B^iv—C1C—O1A^iv	180.0
O2Kⁱ—Si2A—O4C	111.4 (3)	O1B^iv—C1C—O2A^xxvii	38.26 (12)
O2Kⁱ—Si2A—C1A^x	71.1 (3)	O1B^iv—C1C—O2A^iv	38.26 (12)
O2Kⁱ—Si2A—C1B^ix	176.5 (3)	O1B^iv—C1C—O2J^iv	56.15 (17)
O2Kⁱ—Si2A—C1Cⁱ	74.7 (3)	O1B^iv—C1C—O2J^xxvii	56.15 (17)
O2Lⁱ—Si2A—O2C	109.5 (3)	O1B^iv—C1C—O3B^xxix	89.47 (18)
O2Lⁱ—Si2A—O4C	109.9 (2)	O1B^iv—C1C—O3E^iv	38.15 (12)
O2Lⁱ—Si2A—C1A^x	60.85 (19)	O1B^iv—C1C—O3E^xxvii	38.15 (12)
O2Lⁱ—Si2A—C1B^ix	70.7 (2)	O1B^iv—C1C—O4D^xxx	74.25 (19)
O2Lⁱ—Si2A—C1Cⁱ	160.7 (2)	O1B^iv—C1C—O4D^xvi	74.25 (19)
O4C—Si2A—C1A^x	80.45 (19)	O2A^xxvii—C1C—O2A^iv	76.5 (2)
O4C—Si2A—C1B^ix	66.7 (2)	O2A^xxvii—C1C—O3B^xxix	75.10 (14)
O4C—Si2A—C1Cⁱ	53.29 (17)	O2A^iv—C1C—O3B^xxix	104.05 (19)
C1A^x—Si2A—C1Cⁱ	103.59 (14)	O2G^xxviii—C1C—O1A^iv	59.98 (19)
C1B^ix—Si2A—C1A^x	105.53 (3)	O2G—C1C—O1A^iv	59.98 (19)
C1B^ix—Si2A—C1Cⁱ	105.67 (14)	O2G—C1C—O1B^iv	120.02 (19)
O2A—Si2B—C1Bⁱⁱⁱ	58.23 (15)	O2G^xxviii—C1C—O1B^iv	120.02 (19)
O2A—Si2B—C1C^iv	74.5 (2)	O2G^xxviii—C1C—O2A^iv	142.29 (18)
O2A—Si2B—C1Dⁱⁱⁱ	162.58 (16)	O2G—C1C—O2A^iv	89.69 (12)
O2D—Si2B—O2A	111.6 (3)	O2G—C1C—O2A^xxvii	142.29 (18)
O2D—Si2B—O2J	108.8 (3)	O2G^xxviii—C1C—O2A^xxvii	89.69 (12)
O2D—Si2B—C1Bⁱⁱⁱ	81.81 (17)	O2G^xxviii—C1C—O2G	120.0 (4)
O2D—Si2B—C1C^iv	172.34 (18)	O2G^xxviii—C1C—O2J^xxvii	64.01 (12)
O2D—Si2B—C1Dⁱⁱⁱ	68.8 (2)	O2G—C1C—O2J^xxvii	174.5 (3)
O2J—Si2B—O2A	109.9 (2)	O2G—C1C—O2J^iv	64.01 (12)
O2J—Si2B—C1Bⁱⁱⁱ	167.11 (18)	O2G^xxviii—C1C—O2J^iv	174.5 (3)
O2J—Si2B—C1C^iv	64.07 (19)	O2G^xxviii—C1C—O3B^xxix	38.24 (9)
O2J—Si2B—C1Dⁱⁱⁱ	85.59 (18)	O2G—C1C—O3B^xxix	142.6 (3)
O4D^vii—Si2B—O2A	110.1 (2)	O2G—C1C—O3E^iv	120.89 (15)
O4D^vii—Si2B—O2D	107.6 (3)	O2G—C1C—O3E^xxvii	105.87 (12)
O4D^vii—Si2B—O2J	108.8 (3)	O2G^xxviii—C1C—O3E^iv	105.87 (12)
O4D^vii—Si2B—C1Bⁱⁱⁱ	73.7 (2)	O2G^xxviii—C1C—O3E^xxvii	120.89 (15)
O4D^vii—Si2B—C1C^iv	73.6 (3)	O2G^xxviii—C1C—O4D^xxx	55.33 (11)
O4D^vii—Si2B—C1Dⁱⁱⁱ	55.41 (17)	O2G—C1C—O4D^xvi	55.33 (11)
C1C^iv—Si2B—C1Bⁱⁱⁱ	105.67 (3)	O2G—C1C—O4D^xxx	147.19 (17)
C1Dⁱⁱⁱ—Si2B—C1Bⁱⁱⁱ	105.54 (3)	O2G^xxviii—C1C—O4D^xvi	147.19 (17)
C1Dⁱⁱⁱ—Si2B—C1C^iv	106.95 (14)	O2J^xxvii—C1C—O1A^iv	123.85 (17)
O2B—Si2C—O2E	109.3 (3)	O2J^iv—C1C—O1A^iv	123.85 (17)
O2B—Si2C—O2G	111.4 (3)	O2J^xxvii—C1C—O2A^iv	85.2 (2)
O2B—Si2C—O4B	107.3 (3)	O2J^iv—C1C—O2A^xxvii	85.2 (2)
O2B—Si2C—C1A^vi	66.96 (19)	O2J^xxvii—C1C—O2A^xxvii	37.76 (12)
O2B—Si2C—C1C	83.1 (2)	O2J^iv—C1C—O2A^iv	37.76 (12)
O2B—Si2C—C1D^vi	171.1 (2)	O2J^xxvii—C1C—O2J^iv	112.3 (3)
O2E—Si2C—C1A^vi	86.29 (17)	O2J^iv—C1C—O3B^xxix	141.0 (3)
O2E—Si2C—C1C	164.88 (18)	O2J^xxvii—C1C—O3B^xxix	38.03 (10)
O2E—Si2C—C1D^vi	63.06 (18)	O2J^xxvii—C1C—O3E^iv	53.64 (16)
O2G—Si2C—O2E	110.2 (2)	O2J^iv—C1C—O3E^xxvii	53.64 (16)
O2G—Si2C—C1A^vi	162.20 (17)	O2J^iv—C1C—O3E^iv	73.6 (2)
O2G—Si2C—C1C	55.75 (16)	O2J^xxvii—C1C—O3E^xxvii	73.6 (2)
O2G—Si2C—C1D^vi	76.4 (2)	O2J^xxvii—C1C—O4D^xxx	37.75 (10)
O4B—Si2C—O2E	107.4 (3)	O2J^iv—C1C—O4D^xxx	119.2 (3)
O4B—Si2C—O2G	111.1 (3)	O2J^xxvii—C1C—O4D^xvi	119.2 (3)
O4B—Si2C—C1A^vi	55.51 (19)	O2J^iv—C1C—O4D^xvi	37.75 (10)
O4B—Si2C—C1C	75.9 (3)	O3E^iv—C1C—O2A^xxvii	64.42 (19)
O4B—Si2C—C1D^vi	72.5 (3)	O3E^xxvii—C1C—O2A^iv	64.42 (19)
C1A^vi—Si2C—C1C	107.05 (3)	O3E^xxvii—C1C—O2A^xxvii	36.56 (12)
C1A^vi—Si2C—C1D^vi	106.95 (3)	O3E^iv—C1C—O2A^iv	36.56 (12)
C1C—Si2C—C1D^vi	105.23 (13)	O3E^xxvii—C1C—O3B^xxix	111.4 (2)
O2F—Si2D—O2H^xvi	111.4 (3)	O3E^iv—C1C—O3B^xxix	67.66 (12)
O2F—Si2D—O4A^xvi	107.9 (3)	O3E^xxvii—C1C—O3E^iv	76.3 (2)
O2F—Si2D—C1A	62.5 (2)	O4C^xxx—C1C—O1A^iv	94.8 (2)
O2F—Si2D—C1B^xvii	162.4 (2)	O4C^xvi—C1C—O1A^iv	94.8 (2)
O2F—Si2D—C1D	68.23 (19)	O4C^xvi—C1C—O1B^iv	85.2 (2)
O2H^xvi—Si2D—C1A	84.50 (19)	O4C^xxx—C1C—O1B^iv	85.2 (2)
O2H^xvi—Si2D—C1B^xvii	78.3 (2)	O4C^xvi—C1C—O2A^iv	52.33 (14)
O2H^xvi—Si2D—C1D	166.3 (2)	O4C^xvi—C1C—O2A^xxvii	118.6 (3)
O2I^xvi—Si2D—O2F	108.6 (3)	O4C^xxx—C1C—O2A^xxvii	52.33 (14)
O2I^xvi—Si2D—O2H^xvi	111.5 (3)	O4C^xxx—C1C—O2A^iv	118.6 (3)
O2I^xvi—Si2D—O4A^xvi	109.7 (3)	O4C^xvi—C1C—O2G^xxviii	109.75 (15)
O2I^xvi—Si2D—C1A	164.00 (18)	O4C^xxx—C1C—O2G^xxviii	75.29 (12)
O2I^xvi—Si2D—C1B^xvii	79.7 (2)	O4C^xvi—C1C—O2G	75.29 (12)
O2I^xvi—Si2D—C1D	57.63 (17)	O4C^xxx—C1C—O2G	109.75 (15)
O4A^xvi—Si2D—O2H^xvi	107.7 (2)	O4C^xxx—C1C—O2J^iv	100.02 (18)
O4A^xvi—Si2D—C1A	64.03 (19)	O4C^xvi—C1C—O2J^xxvii	100.02 (18)
O4A^xvi—Si2D—C1B^xvii	54.54 (17)	O4C^xxx—C1C—O2J^xxvii	74.49 (14)
O4A^xvi—Si2D—C1D	84.93 (15)	O4C^xvi—C1C—O2J^iv	74.49 (14)
C1A—Si2D—C1B^xvii	105.44 (3)	O4C^xxx—C1C—O3B^xxix	94.04 (10)
C1D—Si2D—C1A	106.45 (3)	O4C^xvi—C1C—O3B^xxix	85.87 (10)
C1D—Si2D—C1B^xvii	105.92 (3)	O4C^xxx—C1C—O3E^iv	116.7 (3)
O4A^vi—Si3—C1A^x	68.07 (19)	O4C^xvi—C1C—O3E^xxvii	116.7 (3)
O4A^vi—Si3—C1B^ix	60.57 (17)	O4C^xxx—C1C—O3E^xxvii	54.40 (15)
O4A^vi—Si3—C1Cⁱ	167.24 (17)	O4C^xvi—C1C—O3E^iv	54.40 (15)
O4A^vi—Si3—C1D^x	84.40 (16)	O4C^xxx—C1C—O4C^xvi	170.4 (4)
O4Bⁱ—Si3—O4A^vi	107.8 (3)	O4C^xxx—C1C—O4D^xxx	38.57 (9)
O4Bⁱ—Si3—O4C	110.2 (4)	O4C^xvi—C1C—O4D^xxx	137.4 (2)
O4Bⁱ—Si3—O4D	110.4 (3)	O4C^xvi—C1C—O4D^xvi	38.57 (9)
O4Bⁱ—Si3—C1A^x	56.61 (18)	O4C^xxx—C1C—O4D^xvi	137.4 (2)
O4Bⁱ—Si3—C1B^ix	166.90 (19)	O4D^xvi—C1C—O2A^iv	36.82 (11)
O4Bⁱ—Si3—C1Cⁱ	79.4 (3)	O4D^xxx—C1C—O2A^iv	112.0 (3)
O4Bⁱ—Si3—C1D^x	74.1 (3)	O4D^xxx—C1C—O2A^xxvii	36.82 (11)
O4C—Si3—O4A^vi	108.4 (2)	O4D^xvi—C1C—O2A^xxvii	112.0 (3)
O4C—Si3—O4D	110.0 (3)	O4D^xxx—C1C—O3B^xxix	57.68 (10)
O4C—Si3—C1A^x	86.41 (18)	O4D^xvi—C1C—O3B^xxix	121.99 (13)
O4C—Si3—C1B^ix	70.6 (2)	O4D^xxx—C1C—O3E^xxvii	65.80 (16)
O4C—Si3—C1Cⁱ	58.89 (16)	O4D^xvi—C1C—O3E^iv	65.80 (16)
O4C—Si3—C1D^x	163.54 (16)	O4D^xxx—C1C—O3E^iv	89.0 (2)
O4D—Si3—O4A^vi	109.9 (3)	O4D^xvi—C1C—O3E^xxvii	89.0 (2)
O4D—Si3—C1A^x	162.68 (19)	O4D^xxx—C1C—O4D^xvi	148.5 (4)
O4D—Si3—C1B^ix	80.7 (2)	O1F^xxxi—C1D—O1F^xii	180.0
O4D—Si3—C1Cⁱ	76.1 (3)	O1F^xii—C1D—O1G^xxiv	115.36 (11)
O4D—Si3—C1D^x	54.61 (18)	O1F^xxxi—C1D—O1G^xxiv	64.64 (10)
C1A^x—Si3—C1Cⁱ	109.61 (16)	O1F^xii—C1D—O4B^xxi	84.42 (10)
C1A^x—Si3—C1D^x	108.43 (3)	O1F^xxxi—C1D—O4B^xiv	84.42 (10)
C1B^ix—Si3—C1A^x	111.01 (3)	O1F^xii—C1D—O4B^xiv	95.58 (10)
C1B^ix—Si3—C1Cⁱ	110.85 (16)	O1F^xxxi—C1D—O4B^xxi	95.58 (10)
C1B^ix—Si3—C1D^x	108.91 (3)	O2D^xiii—C1D—O1F^xxxi	125.66 (10)
C1Cⁱ—Si3—C1D^x	107.94 (2)	O2D^xiii—C1D—O1F^xii	54.34 (10)
Si1B^xviii—O1A—Si1B	165.5 (5)	O2D^xxii—C1D—O1F^xxxi	54.34 (10)
Si1B—O1A—C1C^iv	97.3 (2)	O2D^xxii—C1D—O1F^xii	125.66 (10)
Si1B^xviii—O1A—C1C^iv	97.3 (2)	O2D^xiii—C1D—O1G^xxiv	73.47 (10)
Si1C^xviii—O1B—Si1C	169.4 (5)	O2D^xxii—C1D—O1G^xxiv	106.53 (10)
Si1C—O1B—C1C^iv	95.3 (2)	O2D^xxii—C1D—O2D^xiii	180.0
Si1C^xviii—O1B—C1C^iv	95.3 (2)	O2D^xiii—C1D—O4B^xxi	102.39 (10)
Si1A—O1C—Si1E^vii	175.8 (5)	O2D^xxii—C1D—O4B^xxi	77.61 (10)
Si1A—O1C—C1Bⁱⁱⁱ	88.49 (19)	O2D^xxii—C1D—O4B^xiv	102.39 (10)
Si1E^vii—O1C—C1Bⁱⁱⁱ	93.9 (2)	O2D^xiii—C1D—O4B^xiv	77.61 (10)
Si1F—O1D—Si1H^xv	162.4 (4)	O2E^xxi—C1D—O1F^xxxi	107.60 (10)
Si1F—O1D—C1C^xi	77.8 (2)	O2E^xiv—C1D—O1F^xxxi	72.40 (10)
Si1H^xv—O1D—C1C^xi	84.8 (2)	O2E^xxi—C1D—O1F^xii	72.40 (10)
Si1E^viii—O1E—Si1D	150.2 (3)	O2E^xiv—C1D—O1F^xii	107.60 (10)
Si1G^xv—O1F—C1D^xv	95.54 (19)	O2E^xiv—C1D—O1G^xxiv	127.83 (10)
Si1L^xv—O1F—Si1G^xv	172.8 (3)	O2E^xxi—C1D—O1G^xxiv	52.17 (10)
Si1L^xv—O1F—C1D^xv	91.1 (2)	O2E^xiv—C1D—O2D^xiii	113.17 (10)
Si1F—O1G—Si1K	163.9 (4)	O2E^xiv—C1D—O2D^xxii	66.83 (10)
Si1F—O1G—C1Dⁱ	92.1 (2)	O2E^xxi—C1D—O2D^xxii	113.17 (10)
Si1K—O1G—C1Dⁱ	84.2 (2)	O2E^xxi—C1D—O2D^xiii	66.83 (10)
Si1H—O1H—Si1L	159.9 (4)	O2E^xiv—C1D—O2E^xxi	180.0
Si1H—O1H—C1A	81.2 (2)	O2E^xxi—C1D—O4B^xiv	142.94 (10)
Si1L—O1H—C1A	79.8 (2)	O2E^xiv—C1D—O4B^xiv	37.06 (9)
Si1C—O1I—Si1J	158.4 (3)	O2E^xxi—C1D—O4B^xxi	37.06 (9)
Si1C—O1I—C1Bⁱⁱⁱ	76.79 (17)	O2E^xiv—C1D—O4B^xxi	142.94 (10)
Si1J—O1I—C1Bⁱⁱⁱ	81.65 (17)	O2F^xxxii—C1D—O1F^xii	141.88 (10)
Si1I—O1J—C1Bⁱⁱⁱ	83.5 (2)	O2F^xxxii—C1D—O1F^xxxi	38.12 (10)
Si1K—O1J—Si1I	160.1 (4)	O2F—C1D—O1F^xxxi	141.88 (10)
Si1K—O1J—C1Bⁱⁱⁱ	85.3 (2)	O2F—C1D—O1F^xii	38.12 (10)
Si1A^xvi—O1K—Si1D^iv	166.3 (4)	O2F^xxxii—C1D—O1G^xxiv	69.04 (11)
Si1A^xvi—O1K—C1A	83.85 (17)	O2F—C1D—O1G^xxiv	110.96 (11)
Si1D^iv—O1K—C1A	90.5 (2)	O2F—C1D—O2D^xxii	95.81 (10)
Si1G—O1L—Si1I^xii	151.7 (3)	O2F—C1D—O2D^xiii	84.19 (10)
Si1B—O1M—Si1J^xvi	152.5 (3)	O2F^xxxii—C1D—O2D^xiii	95.81 (10)
Si1B—O1M—C1A	72.28 (16)	O2F^xxxii—C1D—O2D^xxii	84.19 (10)
Si1J^xvi—O1M—C1A	80.42 (17)	O2F^xxxii—C1D—O2E^xxi	121.11 (11)
Si1C—O2A—C1Bⁱⁱⁱ	102.02 (16)	O2F—C1D—O2E^xxi	58.90 (11)
Si1C—O2A—C1C^iv	83.5 (2)	O2F^xxxii—C1D—O2E^xiv	58.89 (11)
Si2B—O2A—Si1C	157.2 (3)	O2F—C1D—O2E^xiv	121.10 (11)
Si2B—O2A—C1Bⁱⁱⁱ	100.77 (18)	O2F^xxxii—C1D—O2F	180.00 (9)
Si2B—O2A—C1C^iv	83.85 (19)	O2F—C1D—O4B^xiv	129.01 (11)
C1Bⁱⁱⁱ—O2A—C1C^iv	120.67 (14)	O2F^xxxii—C1D—O4B^xiv	50.99 (11)
Si1B^iv—O2B—C1A^vi	99.5 (2)	O2F^xxxii—C1D—O4B^xxi	129.01 (11)
Si1B^iv—O2B—C1C	79.1 (2)	O2F—C1D—O4B^xxi	50.99 (11)
Si2C—O2B—Si1B^iv	155.0 (4)	O2I^xvi—C1D—O1F^xxxi	120.14 (12)
Si2C—O2B—C1A^vi	90.8 (2)	O2I^xxiv—C1D—O1F^xii	120.14 (12)
Si2C—O2B—C1C	75.9 (2)	O2I^xxiv—C1D—O1F^xxxi	59.86 (12)
C1A^vi—O2B—C1C	111.39 (15)	O2I^xvi—C1D—O1F^xii	59.86 (12)
Si1I^vii—O2C—C1B^ix	91.9 (2)	O2I^xxiv—C1D—O1G^xxiv	38.46 (10)
Si1I^vii—O2C—C1Cⁱ	84.5 (2)	O2I^xvi—C1D—O1G^xxiv	141.54 (10)
Si2A—O2C—Si1I^vii	155.0 (3)	O2I^xvi—C1D—O2D^xiii	114.20 (12)
Si2A—O2C—C1B^ix	84.1 (2)	O2I^xvi—C1D—O2D^xxii	65.80 (12)
Si2A—O2C—C1Cⁱ	72.7 (2)	O2I^xxiv—C1D—O2D^xxii	114.20 (13)
C1B^ix—O2C—C1Cⁱ	104.57 (13)	O2I^xxiv—C1D—O2D^xiii	65.80 (12)
Si1E^vii—O2D—C1Bⁱⁱⁱ	80.90 (17)	O2I^xvi—C1D—O2E^xxi	94.50 (10)
Si1E^vii—O2D—C1Dⁱⁱⁱ	99.4 (2)	O2I^xxiv—C1D—O2E^xxi	85.50 (10)
Si2B—O2D—Si1E^vii	158.2 (3)	O2I^xvi—C1D—O2E^xiv	85.50 (10)
Si2B—O2D—C1Bⁱⁱⁱ	77.36 (17)	O2I^xxiv—C1D—O2E^xiv	94.50 (10)
Si2B—O2D—C1Dⁱⁱⁱ	89.4 (2)	O2I^xxiv—C1D—O2F^xxxii	39.12 (11)
C1Dⁱⁱⁱ—O2D—C1Bⁱⁱⁱ	109.59 (13)	O2I^xxiv—C1D—O2F	140.88 (11)
Si1D—O2E—C1A^vi	83.24 (16)	O2I^xvi—C1D—O2F	39.12 (11)
Si1D—O2E—C1D^vi	104.6 (2)	O2I^xvi—C1D—O2F^xxxii	140.88 (11)
Si2C—O2E—Si1D	153.0 (3)	O2I^xxiv—C1D—O2I^xvi	180.0
Si2C—O2E—C1A^vi	72.58 (16)	O2I^xvi—C1D—O4B^xxi	70.21 (10)
Si2C—O2E—C1D^vi	95.5 (2)	O2I^xvi—C1D—O4B^xiv	109.79 (10)
C1D^vi—O2E—C1A^vi	111.79 (13)	O2I^xxiv—C1D—O4B^xiv	70.21 (10)
Si1L—O2F—C1A	99.2 (2)	O2I^xxiv—C1D—O4B^xxi	109.79 (10)
Si1L—O2F—C1D	93.58 (19)	O4B^xxi—C1D—O1G^xxiv	71.34 (9)
Si2D—O2F—Si1L	159.3 (4)	O4B^xiv—C1D—O1G^xxiv	108.66 (9)
Si2D—O2F—C1A	95.9 (2)	O4B^xiv—C1D—O4B^xxi	180.00 (11)
Si2D—O2F—C1D	89.9 (2)	O4D^xi—C1D—O1F^xxxi	108.74 (10)
C1D—O2F—C1A	123.27 (15)	O4D^xxxiii—C1D—O1F^xii	108.74 (10)
Si1F^xi—O2G—C1C	101.94 (19)	O4D^xi—C1D—O1F^xii	71.26 (10)
Si1F^xi—O2G—C1D^vi	85.94 (19)	O4D^xxxiii—C1D—O1F^xxxi	71.26 (10)
Si2C—O2G—Si1F^xi	154.7 (3)	O4D^xxxiii—C1D—O1G^xxiv	87.62 (12)
Si2C—O2G—C1C	103.37 (19)	O4D^xi—C1D—O1G^xxiv	92.38 (12)
Si2C—O2G—C1D^vi	82.4 (2)	O4D^xxxiii—C1D—O2D^xiii	140.77 (11)
C1C—O2G—C1D^vi	120.3 (2)	O4D^xi—C1D—O2D^xiii	39.23 (11)
Si1J—O2H—C1Aⁱ	87.6 (2)	O4D^xxxiii—C1D—O2D^xxii	39.23 (11)
Si1J—O2H—C1Bⁱⁱⁱ	87.9 (2)	O4D^xi—C1D—O2D^xxii	140.77 (11)
Si2Dⁱ—O2H—Si1J	155.5 (4)	O4D^xxxiii—C1D—O2E^xxi	74.37 (11)
Si2Dⁱ—O2H—C1Aⁱ	74.54 (18)	O4D^xi—C1D—O2E^xiv	74.37 (11)
Si2Dⁱ—O2H—C1Bⁱⁱⁱ	80.4 (2)	O4D^xi—C1D—O2E^xxi	105.63 (11)
C1Bⁱⁱⁱ—O2H—C1Aⁱ	103.53 (11)	O4D^xxxiii—C1D—O2E^xiv	105.63 (11)
Si1K—O2I—C1Bⁱⁱⁱ	86.1 (2)	O4D^xxxiii—C1D—O2F^xxxii	109.28 (10)
Si1K—O2I—C1Dⁱ	98.68 (18)	O4D^xxxiii—C1D—O2F	70.71 (10)
Si2Dⁱ—O2I—Si1K	159.3 (3)	O4D^xi—C1D—O2F	109.29 (10)
Si2Dⁱ—O2I—C1Bⁱⁱⁱ	79.3 (2)	O4D^xi—C1D—O2F^xxxii	70.72 (10)
Si2Dⁱ—O2I—C1Dⁱ	101.1 (2)	O4D^xi—C1D—O2I^xvi	117.67 (14)
C1Dⁱ—O2I—C1Bⁱⁱⁱ	117.72 (16)	O4D^xi—C1D—O2I^xxiv	62.33 (14)
Si1Gⁱⁱⁱ—O2J—Si2B	153.7 (3)	O4D^xxxiii—C1D—O2I^xxiv	117.67 (14)
Si1Gⁱⁱⁱ—O2J—C1C^iv	102.0 (2)	O4D^xxxiii—C1D—O2I^xvi	62.33 (14)
Si1Gⁱⁱⁱ—O2J—C1Dⁱⁱⁱ	81.31 (19)	O4D^xxxiii—C1D—O4B^xxi	38.40 (11)
Si2B—O2J—C1C^iv	94.1 (2)	O4D^xi—C1D—O4B^xiv	38.40 (11)
Si2B—O2J—C1Dⁱⁱⁱ	73.45 (18)	O4D^xi—C1D—O4B^xxi	141.60 (11)
C1C^iv—O2J—C1Dⁱⁱⁱ	111.54 (18)	O4D^xxxiii—C1D—O4B^xiv	141.60 (11)
Si1H^iv—O2K—C1A^vi	90.2 (3)	O4D^xi—C1D—O4D^xxxiii	180.0
Si1H^iv—O2K—C1C	88.7 (3)	C2D^xxvii—C2A—C2K	97 (3)
Si2A^xvi—O2K—Si1H^iv	171.6 (4)	C2E^iv—C2A—C2D^xxvii	109 (3)
Si2A^xvi—O2K—C1A^vi	87.8 (3)	C2E^iv—C2A—C2G^xi	122 (3)
Si2A^xvi—O2K—C1C	84.4 (3)	C2E^iv—C2A—C2K	64 (2)
C1A^vi—O2K—C1C	110.22 (16)	C2G^xi—C2A—C2D^xxvii	46 (2)
Si1A^xix—O2L—C1A^vi	97.1 (2)	C2G^xi—C2A—C2K	70 (3)
Si1A^xix—O2L—C1B^xx	89.4 (2)	C2C^xxxiv—C2B—C2E^xxxv	112 (3)
Si2A^xvi—O2L—Si1A^xix	164.0 (4)	C2C^xxxiv—C2B—C2J	44 (2)
Si2A^xvi—O2L—C1A^vi	97.9 (2)	C2F^xviii—C2B—C2C^xxxiv	114 (5)
Si2A^xvi—O2L—C1B^xx	87.4 (2)	C2F^xviii—C2B—C2E^xxxv	24 (3)
C1A^vi—O2L—C1B^xx	121.37 (13)	C2F^xviii—C2B—C2J	132 (4)
Si1A—O3A—C1Aⁱ	84.40 (17)	C2J—C2B—C2E^xxxv	112 (3)
Si1A—O3A—C1Bⁱⁱⁱ	86.16 (17)	C2B^xxxvi—C2C—C2F^xxxvii	24.8 (18)
Si1J—O3A—Si1A	178.1 (3)	C2B^xxxvi—C2C—C2I^xxix	99 (3)
Si1J—O3A—C1Aⁱ	97.06 (19)	C2B^xxxvi—C2C—C2K^xvii	80 (3)
Si1J—O3A—C1Bⁱⁱⁱ	94.39 (18)	C2B^xxxvi—C2C—C2L^xvii	103 (3)
C1Bⁱⁱⁱ—O3A—C1Aⁱ	111.55 (11)	C2F^xxxvii—C2C—C2L^xvii	79 (3)
Si1F^xvi—O3B—Si1G	168.5 (4)	C2I^xxix—C2C—C2F^xxxvii	97 (3)
Si1F^xvi—O3B—C1C^xiv	83.4 (3)	C2I^xxix—C2C—C2K^xvii	85 (3)
Si1F^xvi—O3B—C1D	85.7 (2)	C2I^xxix—C2C—C2L^xvii	76 (3)
Si1G—O3B—C1C^xiv	90.1 (3)	C2J^xxxvi—C2C—C2B^xxxvi	78 (4)
Si1G—O3B—C1D	87.4 (2)	C2J^xxxvi—C2C—C2F^xxxvii	92 (4)
C1C^xiv—O3B—C1D	108.87 (11)	C2J^xxxvi—C2C—C2I^xxix	43 (3)
Si1D^v—O3C—Si1L^iv	164.4 (4)	C2J^xxxvi—C2C—C2K^xvii	118 (4)
Si1D^v—O3C—C1A^vi	91.07 (19)	C2J^xxxvi—C2C—C2L^xvii	118 (4)
Si1D^v—O3C—C1D^ix	86.63 (19)	C2K^xvii—C2C—C2F^xxxvii	56 (3)
Si1L^iv—O3C—C1A^vi	86.15 (17)	C2K^xvii—C2C—C2L^xvii	24 (2)
Si1L^iv—O3C—C1D^ix	79.48 (18)	C2A^xxxi—C2D—C2E^xviii	32.7 (14)
C1A^vi—O3C—C1D^ix	106.78 (11)	C2A^xxxi—C2D—C2I	107 (3)
Si1E^xxi—O3D—C1Bⁱⁱⁱ	90.2 (2)	C2G^xii—C2D—C2A^xxxi	58 (2)
Si1E^xxi—O3D—C1Dⁱ	91.93 (19)	C2G^xii—C2D—C2E^xviii	76 (3)
Si1K—O3D—Si1E^xxi	172.6 (4)	C2G^xii—C2D—C2H	120 (4)
Si1K—O3D—C1Bⁱⁱⁱ	92.45 (18)	C2G^xii—C2D—C2I	78 (3)
Si1K—O3D—C1Dⁱ	80.62 (18)	C2H—C2D—C2A^xxxi	125 (4)
C1Bⁱⁱⁱ—O3D—C1Dⁱ	110.83 (13)	C2H—C2D—C2E^xviii	93 (3)
Si1C—O3E—C1Bⁱⁱⁱ	86.89 (19)	C2H—C2D—C2I	42 (3)
Si1C—O3E—C1C^iv	83.75 (19)	C2I—C2D—C2E^xviii	86 (2)
Si1I—O3E—Si1C	175.7 (3)	C2A^iv—C2E—C2B^xxxviii	118 (3)
Si1I—O3E—C1Bⁱⁱⁱ	90.10 (18)	C2A^iv—C2E—C2D^xviii	38.6 (16)
Si1I—O3E—C1C^iv	100.2 (2)	C2A^iv—C2E—C2K^iv	73 (3)
C1C^iv—O3E—C1Bⁱⁱⁱ	111.65 (12)	C2B^xxxviii—C2E—C2D^xviii	82.6 (19)
Si1B—O3F—C1A	93.1 (2)	C2B^xxxviii—C2E—C2K^iv	75 (3)
Si1B—O3F—C1C^iv	86.6 (2)	C2F^xvi—C2E—C2A^iv	134 (4)
Si1H—O3F—Si1B	173.9 (4)	C2F^xvi—C2E—C2B^xxxviii	22 (3)
Si1H—O3F—C1A	92.9 (2)	C2F^xvi—C2E—C2D^xviii	103 (4)
Si1H—O3F—C1C^iv	90.0 (2)	C2F^xvi—C2E—C2K^iv	72 (4)
C1A—O3F—C1C^iv	112.45 (15)	C2K^iv—C2E—C2D^xviii	76 (2)
Si2Dⁱ—O4A—Si3^xxi	147.3 (3)	C2B^xviii—C2F—C2C^xxxvii	41 (3)
Si2Dⁱ—O4A—C1Aⁱ	94.2 (2)	C2B^xviii—C2F—C2Eⁱ	134 (5)
Si2Dⁱ—O4A—C1Bⁱⁱⁱ	104.5 (2)	C2B^xviii—C2F—C2K^vii	101 (4)
Si2Dⁱ—O4A—C1Dⁱ	74.02 (15)	C2C^xxxvii—C2F—C2K^vii	61 (3)
Si3^xxi—O4A—C1Aⁱ	89.4 (2)	C2Eⁱ—C2F—C2C^xxxvii	121 (4)
Si3^xxi—O4A—C1Bⁱⁱⁱ	96.87 (19)	C2Eⁱ—C2F—C2K^vii	77 (4)
Si3^xxi—O4A—C1Dⁱ	74.45 (15)	C2A^xi—C2G—C2H^xv	90 (2)
C1Aⁱ—O4A—C1Dⁱ	111.40 (10)	C2A^xi—C2G—C2I^xv	106 (3)
C1Bⁱⁱⁱ—O4A—C1Aⁱ	131.86 (12)	C2A^xi—C2G—C2K^xi	68 (2)
C1Bⁱⁱⁱ—O4A—C1Dⁱ	116.26 (12)	C2A^xi—C2G—C2L^xi	91 (3)
Si2C—O4B—C1A^vi	102.9 (2)	C2D^xv—C2G—C2A^xi	76 (3)
Si2C—O4B—C1C	82.7 (3)	C2D^xv—C2G—C2H^xv	31 (3)
Si2C—O4B—C1D^vi	86.1 (3)	C2D^xv—C2G—C2I^xv	59 (3)
Si3^xvi—O4B—Si2C	154.8 (4)	C2D^xv—C2G—C2K^xi	114 (4)
Si3^xvi—O4B—C1A^vi	101.6 (2)	C2D^xv—C2G—C2L^xi	125 (4)
Si3^xvi—O4B—C1C	78.9 (3)	C2H^xv—C2G—C2L^xi	99 (3)
Si3^xvi—O4B—C1D^vi	84.3 (3)	C2I^xv—C2G—C2H^xv	27.8 (18)
C1A^vi—O4B—C1C	123.4 (2)	C2I^xv—C2G—C2K^xi	80 (2)
C1A^vi—O4B—C1D^vi	125.93 (19)	C2I^xv—C2G—C2L^xi	76 (2)
C1D^vi—O4B—C1C	110.56 (14)	C2K^xi—C2G—C2H^xv	95 (3)
Si2A—O4C—C1A^x	78.60 (18)	C2K^xi—C2G—C2L^xi	23 (2)
Si2A—O4C—C1B^ix	91.5 (2)	C2D—C2H—C2G^xii	29 (2)
Si2A—O4C—C1Cⁱ	106.3 (2)	C2D—C2H—C2J^xvi	121 (5)
Si3—O4C—Si2A	147.8 (3)	C2I—C2H—C2D	81 (4)
Si3—O4C—C1A^x	72.22 (18)	C2I—C2H—C2G^xii	52 (3)
Si3—O4C—C1B^ix	86.7 (2)	C2I—C2H—C2J^xvi	56 (4)
Si3—O4C—C1Cⁱ	99.06 (18)	C2J^xvi—C2H—C2G^xii	96 (3)
C1B^ix—O4C—C1A^x	111.44 (10)	C2C^xxxix—C2I—C2K^xxxi	52 (2)
C1Cⁱ—O4C—C1A^x	116.9 (2)	C2D—C2I—C2C^xxxix	126 (3)
C1Cⁱ—O4C—C1B^ix	130.7 (2)	C2D—C2I—C2K^xxxi	85 (3)
Si2B^vii—O4D—Si3	152.1 (3)	C2G^xii—C2I—C2C^xxxix	108 (3)
Si2B^vii—O4D—C1B^ix	84.9 (2)	C2G^xii—C2I—C2D	44 (2)
Si2B^vii—O4D—C1Cⁱ	84.6 (3)	C2G^xii—C2I—C2K^xxxi	55 (2)
Si2B^vii—O4D—C1D^x	103.21 (19)	C2H—C2I—C2C^xxxix	115 (4)
Si3—O4D—C1B^ix	77.5 (2)	C2H—C2I—C2D	57 (4)
Si3—O4D—C1Cⁱ	82.0 (3)	C2H—C2I—C2G^xii	100 (4)
Si3—O4D—C1D^x	104.5 (2)	C2H—C2I—C2J^xvi	75 (4)
C1Cⁱ—O4D—C1B^ix	111.62 (14)	C2H—C2I—C2K^xxxi	122 (4)
C1D^x—O4D—C1B^ix	123.02 (17)	C2J^xvi—C2I—C2C^xxxix	44 (3)
C1D^x—O4D—C1Cⁱ	125.19 (19)	C2J^xvi—C2I—C2D	117 (4)
O2B^xxi—C1A—Si3^vii	120.53 (8)	C2J^xvi—C2I—C2G^xii	136 (4)
O2B^iv—C1A—Si3^vii	59.47 (8)	C2J^xvi—C2I—C2K^xxxi	90 (3)
O2B^iv—C1A—O2B^xxi	180.0	C2C^xxxiv—C2J—C2B	59 (3)
O2B^xxi—C1A—O2F^xxii	92.42 (10)	C2C^xxxiv—C2J—C2Hⁱ	135 (5)
O2B^iv—C1A—O2F^xxii	87.58 (10)	C2C^xxxiv—C2J—C2Iⁱ	92 (4)
O2B^xxi—C1A—O2F	87.58 (10)	C2Hⁱ—C2J—C2B	111 (4)
O2B^iv—C1A—O2F	92.42 (10)	C2Iⁱ—C2J—C2B	115 (4)
O2B^iv—C1A—O2K^iv	66.41 (12)	C2Iⁱ—C2J—C2Hⁱ	50 (3)
O2B^xxi—C1A—O2K^xxi	66.41 (12)	C2A—C2K—C2E^iv	43.1 (19)
O2B^xxi—C1A—O2K^iv	113.59 (12)	C2A—C2K—C2F^vii	70 (3)
O2B^iv—C1A—O2K^xxi	113.59 (12)	C2A—C2K—C2I^xxvii	69 (2)
O2B^xxi—C1A—O2L^iv	84.03 (11)	C2C^xl—C2K—C2A	101 (3)
O2B^xxi—C1A—O2L^xxi	95.97 (11)	C2C^xl—C2K—C2E^iv	86 (3)
O2B^iv—C1A—O2L^iv	95.97 (11)	C2C^xl—C2K—C2F^vii	63 (3)
O2B^iv—C1A—O2L^xxi	84.03 (11)	C2C^xl—C2K—C2I^xxvii	42.0 (19)
O2B^xxi—C1A—O3F^xxii	38.58 (10)	C2F^vii—C2K—C2E^iv	30.0 (19)
O2B^iv—C1A—O3F^xxii	141.42 (10)	C2G^xi—C2K—C2A	42.2 (16)
O2B^xxi—C1A—O3F	141.42 (10)	C2G^xi—C2K—C2C^xl	87 (3)
O2B^iv—C1A—O3F	38.58 (10)	C2G^xi—C2K—C2E^iv	80 (3)
O2F^xxii—C1A—Si3^vii	53.59 (8)	C2G^xi—C2K—C2F^vii	98 (3)
O2F—C1A—Si3^vii	126.41 (8)	C2G^xi—C2K—C2I^xxvii	45.0 (17)
O2F—C1A—O2F^xxii	180.0	C2I^xxvii—C2K—C2E^iv	82 (3)
O2F—C1A—O2K^iv	71.29 (11)	C2I^xxvii—C2K—C2F^vii	78 (3)
O2F^xxii—C1A—O2K^iv	108.71 (11)	C2L—C2K—C2A	109 (6)
O2F^xxii—C1A—O2K^xxi	71.29 (11)	C2L—C2K—C2C^xl	78 (6)
O2F—C1A—O2K^xxi	108.71 (11)	C2L—C2K—C2E^iv	145 (7)
O2F^xxii—C1A—O3F^xxii	62.00 (11)	C2L—C2K—C2F^vii	140 (7)
O2F^xxii—C1A—O3F	118.00 (11)	C2L—C2K—C2G^xi	67 (5)
O2F—C1A—O3F	62.00 (11)	C2L—C2K—C2I^xxvii	65 (6)
O2F—C1A—O3F^xxii	118.00 (11)	C2C^xl—C2L—C2G^xi	92 (3)
O2K^xxi—C1A—Si3^vii	123.91 (8)	C2K—C2L—C2C^xl	78 (6)
O2K^iv—C1A—Si3^vii	56.09 (8)	C2K—C2L—C2G^xi	90 (6)

Symmetry codes: (i) x, y+1, z; (ii) x−1, y+1, z; (iii) x, y+1/2, z−1/2; (iv) −x+1, −y+1/2, −z+1/2; (v) −x+2, −y+1/2, −z+1/2; (vi) x+1, y, z; (vii) −x+1, −y+3/2, −z+1/2; (viii) −x+2, −y+1, −z+1; (ix) x+1, y+1/2, z−1/2; (x) x+1, y+1, z; (xi) −x+1, −y+1, −z+1; (xii) −x+1/2, y−1/2, −z+1; (xiii) x, y−1/2, z+1/2; (xiv) −x+1, −y, −z+1; (xv) −x+1/2, y+1/2, −z+1; (xvi) x, y−1, z; (xvii) x, y−1/2, z−1/2; (xviii) −x+1/2, y, −z+1/2; (xix) x+1, y−1, z; (xx) x+1, y−1/2, z−1/2; (xxi) x−1, y, z; (xxii) −x, −y+1/2, −z+1/2; (xxiii) −x, −y+3/2, −z+1/2; (xxiv) −x, −y+1, −z+1; (xxv) x−1, y−1/2, z+1/2; (xxvi) x−1, y+1/2, z+1/2; (xxvii) x+1/2, −y+1/2, z; (xxviii) −x+3/2, y, −z+1/2; (xxix) x+1/2, −y, z−1/2; (xxx) −x+3/2, y−1, −z+1/2; (xxxi) x−1/2, −y+1/2, z; (xxxii) −x, −y, −z+1; (xxxiii) x−1, y−1, z; (xxxiv) x−1/2, −y+1, z+1/2; (xxxv) −x+1/2, y+1, −z+1/2; (xxxvi) x+1/2, −y+1, z−1/2; (xxxvii) −x+1, −y+1, −z; (xxxviii) −x+1/2, y−1, −z+1/2; (xxxix) x−1/2, −y, z+1/2; (xl) x, y+1/2, z+1/2.

(150k_cubic) top

Crystal data top

0.01(C_50.26Na_1.27O₂₇₂Si₁₃₆)·0.16(C)	D_x = 1.961 Mg m⁻³
M_r = 63.35	Mo Kα radiation, λ = 0.71073 Å
Cubic, Fd3m	Cell parameters from 31792 reflections
a = 19.3944 (15) Å	θ = 3–67°
V = 7295.1 (17) Å³	µ = 0.71 mm⁻¹
Z = 136	T = 150 K
F(000) = 4301	Platelet

Data collection top

StoeStadiVari diffractometer	θ_max = 33.4°, θ_min = 3.0°
30481 measured reflections	h = −29→29
721 independent reflections	k = −29→29
695 reflections with I > 2σ(I)	l = −14→29
R_int = 0.303

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + 2280.P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.220	(Δ/σ)_max < 0.001
wR(F²) = 0.415	Δρ_max = 1.39 e Å⁻³
S = 1.20	Δρ_min = −6.25 e Å⁻³
721 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
44 parameters	Extinction coefficient: 0.0017 (4)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1	0.0679 (2)	0.0679 (2)	0.3691 (2)	0.0305 (15)
Si2	0.21641 (19)	0.21641 (19)	0.21641 (19)	0.0113 (14)
Si3	0.1250	0.1250	0.1250	0.015 (3)
O1	0.0000	0.3449 (9)	−0.3449 (9)	0.079 (7)
O2	0.1998 (13)	0.1998 (13)	0.2937 (12)	0.115 (11)
O3	0.3749 (16)	0.1250	0.1250	0.057 (6)
O4	0.1717 (8)	0.1717 (8)	0.1717 (8)	0.110 (18)
Na	0.5000	0.5000	0.5000	0.050*	0.08 (6)
C1	0.0000	0.0000	0.0000	0.031 (9)
C2B	0.401 (10)	0.401 (10)	0.401 (10)	0.050*	0.2 (2)
C2C	0.356 (7)	0.356 (7)	0.283 (10)	0.050*	0.15 (7)
C2D	0.359 (6)	0.359 (6)	0.431 (10)	0.050*	0.18 (8)
C2E	0.323 (5)	0.323 (5)	0.351 (6)	0.050*	0.20 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1	0.041 (2)	0.041 (2)	0.0093 (19)	0.020 (2)	−0.0063 (14)	−0.0063 (14)
Si2	0.0113 (14)	0.0113 (14)	0.0113 (14)	−0.0026 (12)	−0.0026 (12)	−0.0026 (12)
Si3	0.015 (3)	0.015 (3)	0.015 (3)	0.000	0.000	0.000
O1	0.058 (12)	0.090 (11)	0.090 (11)	−0.021 (7)	−0.021 (7)	−0.022 (12)
O2	0.154 (17)	0.154 (17)	0.036 (11)	0.01 (2)	0.041 (10)	0.041 (10)
O3	0.082 (19)	0.044 (8)	0.044 (8)	0.000	0.000	0.007 (11)
O4	0.110 (18)	0.110 (18)	0.110 (18)	−0.056 (11)	−0.056 (11)	−0.056 (11)
C1	0.031 (9)	0.031 (9)	0.031 (9)	0.001 (10)	0.001 (10)	0.001 (10)

Geometric parameters (Å, º) top

Si1—O1ⁱ	1.580 (4)	C2B—C2D^xxxii	0.6 (2)
Si1—O1ⁱⁱ	1.580 (4)	C2B—C2D^vi	0.6 (2)
Si1—O2ⁱⁱⁱ	1.540 (19)	C2B—C2D	1.29 (15)
Si1—O3^iv	1.571 (7)	C2B—C2D^xxxi	0.6 (2)
Si1—Na^v	3.148 (5)	C2B—C2D^vii	1.29 (15)
Si1—Na^vi	5.604 (6)	C2B—C2D^viii	1.29 (15)
Si2—O2	1.567 (19)	C2B—C2E^vi	1.20 (13)
Si2—O2^vii	1.567 (19)	C2B—C2E^xxxi	1.20 (13)
Si2—O2^viii	1.567 (19)	C2B—C2E^xxxii	1.20 (13)
Si2—O4	1.50 (3)	C2C—C2B^xxxiii	1.55 (18)
Si2—Na^vi	5.577 (4)	C2C—C2B^xxxiv	1.55 (18)
Si2—Na^ix	5.577 (4)	C2C—C2C^vi	1.1 (4)
Si2—Na^x	5.577 (4)	C2C—C2D^xxxv	1.8 (2)
Si3—O4	1.57 (3)	C2C—C2D^xxxiv	1.0 (2)
Si3—O4^xi	1.57 (3)	C2C—C2D^xxxiii	1.0 (2)
Si3—O4ⁱⁱⁱ	1.57 (3)	C2C—C2D^xxxvi	1.8 (2)
Si3—O4^xii	1.57 (3)	C2C—C2E^viii	1.00 (17)
O1—Si1^xiii	1.580 (4)	C2C—C2E^xxxv	1.79 (19)
O1—Si1^xiv	1.580 (4)	C2C—C2E^vii	1.00 (17)
O1—Na^xv	2.60 (2)	C2C—C2E^xxxvi	1.79 (19)
O2—Si1ⁱⁱⁱ	1.540 (19)	C2C—C2E	1.6 (2)
O2—Na^vi	4.23 (3)	C2D—C2B^vi	0.6 (2)
O3—Si1^vii	1.572 (7)	C2D—C2C^xxxiv	1.0 (2)
O3—Si1^xvi	1.572 (7)	C2D—C2C^xxxiii	1.0 (2)
O3—Na^xvii	4.200 (18)	C2D—C2D^vi	0.9 (3)
O3—Na^ix	4.200 (18)	C2D—C2D^xxxvii	1.1 (4)
Na—Si1^xviii	3.149 (5)	C2D—C2D^xxxviii	1.1 (4)
Na—Si1^xix	3.149 (5)	C2D—C2E^xxxii	1.32 (12)
Na—Si1^xx	3.149 (5)	C2D—C2E^xxxi	1.32 (12)
Na—Si1^xxi	3.149 (5)	C2D—C2E^xxxiv	1.61 (13)
Na—Si1^xxii	3.149 (5)	C2D—C2E^xxxviii	1.04 (11)
Na—Si1^xxiii	3.149 (5)	C2D—C2E^xxxvii	1.04 (11)
Na—O1^xxiv	2.60 (2)	C2E—C2B^vi	1.20 (13)
Na—O1^xxv	2.60 (2)	C2E—C2B^xxxiv	1.60 (17)
Na—O1^xxvi	2.60 (2)	C2E—C2B^xxxiii	1.60 (17)
Na—O1^xxvii	2.60 (2)	C2E—C2C^vii	1.00 (17)
Na—O1^xxviii	2.60 (2)	C2E—C2C^viii	1.00 (17)
Na—O1^xxix	2.60 (2)	C2E—C2D^xxxvi	1.32 (12)
Na—C2D^xxx	3.28 (15)	C2E—C2D^xxxvii	1.04 (11)
Na—C2D^xxxi	3.28 (15)	C2E—C2D^xxxviii	1.04 (11)
Na—C2D^xxxii	3.28 (15)	C2E—C2D^xxxv	1.32 (12)
C2B—C2B^xxxiii	1.4 (5)	C2E—C2E^viii	0.8 (2)
C2B—C2B^vi	1.4 (5)	C2E—C2E^vii	0.8 (2)
C2B—C2B^xxxiv	1.4 (5)

O1ⁱⁱ—Si1—O1ⁱ	110.9 (18)	C2E^xxxii—C2B—C2B^xxxiv	126 (10)
O1ⁱ—Si1—Na^vi	96.6 (2)	C2E^vi—C2B—C2B^xxxiii	74 (10)
O1ⁱ—Si1—Na^v	55.5 (9)	C2E^xxxi—C2B—C2D^viii	64 (6)
O1ⁱⁱ—Si1—Na^vi	96.6 (2)	C2E^vi—C2B—C2D	152 (10)
O1ⁱⁱ—Si1—Na^v	55.5 (9)	C2E^xxxii—C2B—C2D	64 (6)
O2ⁱⁱⁱ—Si1—O1ⁱⁱ	108.0 (8)	C2E^vi—C2B—C2D^vii	64 (6)
O2ⁱⁱⁱ—Si1—O1ⁱ	108.0 (8)	C2E^xxxii—C2B—C2D^vii	64 (6)
O2ⁱⁱⁱ—Si1—O3^iv	112.5 (18)	C2E^xxxi—C2B—C2D	64 (6)
O2ⁱⁱⁱ—Si1—Na^vi	135.3 (14)	C2E^xxxii—C2B—C2D^viii	152 (10)
O2ⁱⁱⁱ—Si1—Na^v	125.4 (14)	C2E^xxxi—C2B—C2D^vii	152 (10)
O3^iv—Si1—O1ⁱ	108.8 (7)	C2E^vi—C2B—C2D^viii	64 (6)
O3^iv—Si1—O1ⁱⁱ	108.8 (7)	C2E^xxxi—C2B—C2E^xxxii	120.0 (4)
O3^iv—Si1—Na^v	122.1 (12)	C2E^xxxi—C2B—C2E^vi	120.0 (4)
O3^iv—Si1—Na^vi	22.8 (11)	C2E^xxxii—C2B—C2E^vi	120.0 (4)
Na^v—Si1—Na^vi	99.29 (10)	C2B^xxxiii—C2C—C2B^xxxiv	56 (10)
O2^viii—Si2—O2^vii	110.5 (13)	C2B^xxxiv—C2C—C2D^xxxvi	21 (6)
O2—Si2—O2^vii	110.5 (13)	C2B^xxxiii—C2C—C2D^xxxvi	65 (10)
O2—Si2—O2^viii	110.5 (13)	C2B^xxxiii—C2C—C2D^xxxv	21 (6)
O2—Si2—Na^ix	96.6 (11)	C2B^xxxiv—C2C—C2D^xxxv	65 (10)
O2—Si2—Na^vi	26.4 (14)	C2B^xxxiv—C2C—C2E^xxxv	57 (10)
O2^vii—Si2—Na^vi	96.6 (11)	C2B^xxxiii—C2C—C2E^xxxvi	57 (10)
O2^vii—Si2—Na^x	96.6 (11)	C2B^xxxiii—C2C—C2E^xxxv	41 (6)
O2^vii—Si2—Na^ix	26.4 (14)	C2B^xxxiii—C2C—C2E	61 (10)
O2^viii—Si2—Na^vi	96.6 (11)	C2B^xxxiv—C2C—C2E^xxxvi	41 (6)
O2^viii—Si2—Na^x	26.4 (14)	C2B^xxxiv—C2C—C2E	61 (10)
O2^viii—Si2—Na^ix	96.6 (11)	C2C^vi—C2C—C2B^xxxiv	70 (7)
O2—Si2—Na^x	96.6 (11)	C2C^vi—C2C—C2B^xxxiii	70 (7)
O4—Si2—O2^vii	108.4 (14)	C2C^vi—C2C—C2D^xxxv	91 (7)
O4—Si2—O2^viii	108.4 (14)	C2C^vi—C2C—C2D^xxxvi	91 (7)
O4—Si2—O2	108.4 (14)	C2C^vi—C2C—C2E^xxxvi	29 (7)
O4—Si2—Na^x	134.77 (5)	C2C^vi—C2C—C2E^xxxv	29 (7)
O4—Si2—Na^vi	134.77 (5)	C2C^vi—C2C—C2E	124 (9)
O4—Si2—Na^ix	134.77 (5)	C2D^xxxiii—C2C—C2B^xxxiii	56 (10)
Na^ix—Si2—Na^x	75.87 (7)	C2D^xxxiv—C2C—C2B^xxxiv	56 (10)
Na^ix—Si2—Na^vi	75.87 (7)	C2D^xxxiii—C2C—C2B^xxxiv	13 (8)
Na^x—Si2—Na^vi	75.87 (7)	C2D^xxxiv—C2C—C2B^xxxiii	13 (8)
O4—Si3—O4^xi	109.471 (2)	C2D^xxxiii—C2C—C2C^vi	57 (10)
O4—Si3—O4ⁱⁱⁱ	109.5	C2D^xxxiv—C2C—C2C^vi	57 (10)
O4^xi—Si3—O4^xii	109.471 (1)	C2D^xxxiv—C2C—C2D^xxxv	34 (10)
O4^xii—Si3—O4ⁱⁱⁱ	109.471 (2)	C2D^xxxiii—C2C—C2D^xxxvi	34 (10)
O4^xi—Si3—O4ⁱⁱⁱ	109.471 (2)	C2D^xxxiv—C2C—C2D^xxxiii	53 (10)
O4—Si3—O4^xii	109.471 (5)	C2D^xxxiii—C2C—C2D^xxxv	70 (10)
Si1^xiii—O1—Si1^xiv	171.0 (18)	C2D^xxxvi—C2C—C2D^xxxv	68 (10)
Si1^xiii—O1—Na^xv	94.5 (9)	C2D^xxxiv—C2C—C2D^xxxvi	70 (10)
Si1^xiv—O1—Na^xv	94.5 (9)	C2D^xxxvi—C2C—C2E^xxxvi	62 (8)
Si1ⁱⁱⁱ—O2—Si2	179 (3)	C2D^xxxiii—C2C—C2E	74 (10)
Si1ⁱⁱⁱ—O2—Na^vi	37.3 (10)	C2D^xxxiv—C2C—C2E^xxxv	28 (10)
Si2—O2—Na^vi	144.1 (18)	C2D^xxxiii—C2C—C2E^xxxv	47 (10)
Si1^vii—O3—Si1^xvi	172 (2)	C2D^xxxiv—C2C—C2E^vii	64 (10)
Si1^vii—O3—Na^ix	148.9 (15)	C2D^xxxvi—C2C—C2E^xxxv	77 (9)
Si1^xvi—O3—Na^ix	39.4 (8)	C2D^xxxiv—C2C—C2E^viii	84 (10)
Si1^vii—O3—Na^xvii	39.4 (8)	C2D^xxxiv—C2C—C2E^xxxvi	47 (10)
Si1^xvi—O3—Na^xvii	148.9 (15)	C2D^xxxiv—C2C—C2E	74 (10)
Na^ix—O3—Na^xvii	109.4 (7)	C2D^xxxiii—C2C—C2E^viii	64 (10)
Si2—O4—Si3	180 (3)	C2D^xxxv—C2C—C2E^xxxvi	77 (9)
Si1^xxii—Na—Si1^xix	60.029 (6)	C2D^xxxiii—C2C—C2E^xxxvi	28 (10)
Si1^xx—Na—Si1^xix	180.0	C2D^xxxv—C2C—C2E^xxxv	62 (8)
Si1^xxiii—Na—Si1^xix	119.971 (6)	C2D^xxxiii—C2C—C2E^vii	84 (10)
Si1^xxiii—Na—Si1^xxi	119.971 (6)	C2E^viii—C2C—C2B^xxxiii	74 (10)
Si1^xxii—Na—Si1^xxi	60.029 (6)	C2E^viii—C2C—C2B^xxxiv	51 (10)
Si1^xxiii—Na—Si1^xviii	60.029 (6)	C2E^vii—C2C—C2B^xxxiv	74 (10)
Si1^xxii—Na—Si1^xviii	119.971 (6)	C2E^vii—C2C—C2B^xxxiii	51 (10)
Si1^xix—Na—Si1^xxi	119.971 (6)	C2E^viii—C2C—C2C^vi	121 (10)
Si1^xx—Na—Si1^xviii	119.971 (6)	C2E^vii—C2C—C2C^vi	121 (10)
Si1^xxii—Na—Si1^xxiii	180.00 (14)	C2E^viii—C2C—C2D^xxxv	64 (10)
Si1^xxi—Na—Si1^xviii	180.0	C2E—C2C—C2D^xxxv	46 (8)
Si1^xix—Na—Si1^xviii	60.029 (6)	C2E^vii—C2C—C2D^xxxvi	64 (10)
Si1^xxii—Na—Si1^xx	119.971 (6)	C2E^viii—C2C—C2D^xxxvi	31 (10)
Si1^xxiii—Na—Si1^xx	60.029 (6)	C2E—C2C—C2D^xxxvi	46 (8)
Si1^xx—Na—Si1^xxi	60.029 (6)	C2E^vii—C2C—C2D^xxxv	31 (10)
Si1^xx—Na—C2D^xxxii	94.6 (18)	C2E^viii—C2C—C2E^xxxvi	92 (10)
Si1^xviii—Na—C2D^xxxi	94.6 (18)	C2E^viii—C2C—C2E^vii	45 (10)
Si1^xxi—Na—C2D^xxx	94.6 (18)	C2E^vii—C2C—C2E	23 (8)
Si1^xxiii—Na—C2D^xxxii	102 (4)	C2E^vii—C2C—C2E^xxxvi	101 (10)
Si1^xx—Na—C2D^xxx	102 (4)	C2E^viii—C2C—C2E^xxxv	101 (10)
Si1^xix—Na—C2D^xxx	78 (4)	C2E^viii—C2C—C2E	23 (8)
Si1^xxii—Na—C2D^xxxii	78 (4)	C2E^vii—C2C—C2E^xxxv	92 (10)
Si1^xxi—Na—C2D^xxxii	85.4 (18)	C2E—C2C—C2E^xxxvi	98 (10)
Si1^xxiii—Na—C2D^xxxi	85.4 (18)	C2E^xxxvi—C2C—C2E^xxxv	25 (8)
Si1^xxiii—Na—C2D^xxx	94.6 (18)	C2E—C2C—C2E^xxxv	98 (10)
Si1^xx—Na—C2D^xxxi	78 (4)	C2B^vi—C2D—C2B	90 (10)
Si1^xviii—Na—C2D^xxxii	94.6 (18)	C2B^vi—C2D—C2C^xxxiii	147 (10)
Si1^xix—Na—C2D^xxxi	102 (4)	C2B^vi—C2D—C2C^xxxiv	147 (10)
Si1^xviii—Na—C2D^xxx	85.4 (18)	C2B^vi—C2D—C2D^xxxvii	31 (9)
Si1^xxi—Na—C2D^xxxi	85.4 (18)	C2B^vi—C2D—C2D^vi	117 (10)
Si1^xxii—Na—C2D^xxxi	94.6 (18)	C2B^vi—C2D—C2D^xxxviii	31 (9)
Si1^xxii—Na—C2D^xxx	85.4 (18)	C2B^vi—C2D—C2E^xxxvii	87 (10)
Si1^xix—Na—C2D^xxxii	85.4 (18)	C2B^vi—C2D—C2E^xxxiv	77 (10)
O1^xxv—Na—Si1^xxi	149.986 (3)	C2B^vi—C2D—C2E^xxxviii	87 (10)
O1^xxvii—Na—Si1^xviii	149.986 (3)	C2B—C2D—C2E^xxxii	55 (7)
O1^xxvii—Na—Si1^xxiii	90.0	C2B—C2D—C2E^xxxi	55 (7)
O1^xxiv—Na—Si1^xxi	149.986 (3)	C2B—C2D—C2E^xxxiv	66 (8)
O1^xxviii—Na—Si1^xxiii	149.986 (3)	C2B^vi—C2D—C2E^xxxi	103 (10)
O1^xxvii—Na—Si1^xxi	30.014 (3)	C2B^vi—C2D—C2E^xxxii	103 (10)
O1^xxv—Na—Si1^xx	90.0	C2C^xxxiv—C2D—C2B	85 (10)
O1^xxix—Na—Si1^xviii	90.0	C2C^xxxiii—C2D—C2B	85 (10)
O1^xxiv—Na—Si1^xix	30.014 (3)	C2C^xxxiv—C2D—C2C^xxxiii	66 (10)
O1^xxviii—Na—Si1^xviii	90.0	C2C^xxxiii—C2D—C2D^xxxvii	176 (10)
O1^xxvii—Na—Si1^xix	149.986 (3)	C2C^xxxiv—C2D—C2D^xxxvii	117 (10)
O1^xxvi—Na—Si1^xviii	149.986 (3)	C2C^xxxiv—C2D—C2D^xxxviii	176 (10)
O1^xxix—Na—Si1^xxi	90.000 (1)	C2C^xxxiii—C2D—C2D^xxxviii	117 (10)
O1^xxvi—Na—Si1^xxii	30.014 (3)	C2C^xxxiii—C2D—C2E^xxxvii	60 (10)
O1^xxix—Na—Si1^xxii	149.986 (3)	C2C^xxxiv—C2D—C2E^xxxi	101 (10)
O1^xxviii—Na—Si1^xxi	90.0	C2C^xxxiv—C2D—C2E^xxxviii	60 (10)
O1^xxviii—Na—Si1^xxii	30.014 (3)	C2C^xxxiii—C2D—C2E^xxxii	101 (10)
O1^xxv—Na—Si1^xviii	30.014 (3)	C2C^xxxiv—C2D—C2E^xxxvii	125 (10)
O1^xxix—Na—Si1^xxiii	30.014 (3)	C2C^xxxiii—C2D—C2E^xxxi	49 (10)
O1^xxix—Na—Si1^xix	149.986 (3)	C2C^xxxiii—C2D—C2E^xxxviii	125 (10)
O1^xxvi—Na—Si1^xxiii	149.986 (3)	C2C^xxxiv—C2D—C2E^xxxii	49 (10)
O1^xxvii—Na—Si1^xx	30.014 (3)	C2C^xxxiii—C2D—C2E^xxxiv	129 (10)
O1^xxiv—Na—Si1^xxiii	90.0	C2C^xxxiv—C2D—C2E^xxxiv	71 (10)
O1^xxv—Na—Si1^xxiii	30.014 (3)	C2D^vi—C2D—C2B	26 (10)
O1^xxix—Na—Si1^xx	30.014 (3)	C2D^xxxvii—C2D—C2B	98 (10)
O1^xxviii—Na—Si1^xix	30.014 (3)	C2D^xxxviii—C2D—C2B	98 (10)
O1^xxvi—Na—Si1^xx	90.000 (1)	C2D^vi—C2D—C2C^xxxiii	64 (10)
O1^xxvii—Na—Si1^xxii	90.0	C2D^vi—C2D—C2C^xxxiv	64 (10)
O1^xxiv—Na—Si1^xx	149.986 (3)	C2D^vi—C2D—C2D^xxxvii	120.00 (9)
O1^xxvi—Na—Si1^xix	90.0	C2D^xxxvii—C2D—C2D^xxxviii	60.00 (4)
O1^xxiv—Na—Si1^xviii	30.014 (3)	C2D^vi—C2D—C2D^xxxviii	120.00 (5)
O1^xxviii—Na—Si1^xx	149.986 (3)	C2D^xxxvii—C2D—C2E^xxxii	83 (9)
O1^xxvi—Na—Si1^xxi	30.014 (3)	C2D^vi—C2D—C2E^xxxii	52 (7)
O1^xxv—Na—Si1^xix	90.000 (1)	C2D^vi—C2D—C2E^xxxi	52 (7)
O1^xxv—Na—Si1^xxii	149.986 (3)	C2D^vi—C2D—C2E^xxxiv	74 (6)
O1^xxiv—Na—Si1^xxii	90.0	C2D^xxxvii—C2D—C2E^xxxiv	54 (8)
O1^xxix—Na—O1^xxiv	120.000 (1)	C2D^xxxviii—C2D—C2E^xxxiv	107 (8)
O1^xxv—Na—O1^xxiv	60.000 (1)	C2D^xxxviii—C2D—C2E^xxxi	83 (9)
O1^xxv—Na—O1^xxvii	120.000 (1)	C2D^vi—C2D—C2E^xxxvii	87 (10)
O1^xxvi—Na—O1^xxv	180.0	C2D^xxxvii—C2D—C2E^xxxi	131 (10)
O1^xxviii—Na—O1^xxvii	120.000 (1)	C2D^vi—C2D—C2E^xxxviii	87 (10)
O1^xxvi—Na—O1^xxvii	60.000 (1)	C2D^xxxviii—C2D—C2E^xxxii	131 (10)
O1^xxix—Na—O1^xxvi	120.000 (1)	C2E^xxxvii—C2D—C2B	86 (10)
O1^xxviii—Na—O1^xxiv	60.000 (1)	C2E^xxxviii—C2D—C2B	86 (10)
O1^xxviii—Na—O1^xxvi	60.0	C2E^xxxviii—C2D—C2D^xxxviii	118 (10)
O1^xxix—Na—O1^xxvii	60.000 (1)	C2E^xxxviii—C2D—C2D^xxxvii	58 (10)
O1^xxix—Na—O1^xxv	60.000 (1)	C2E^xxxvii—C2D—C2D^xxxviii	58 (10)
O1^xxvi—Na—O1^xxiv	120.000 (1)	C2E^xxxvii—C2D—C2D^xxxvii	118 (10)
O1^xxviii—Na—O1^xxv	120.000 (1)	C2E^xxxi—C2D—C2E^xxxii	103 (10)
O1^xxiv—Na—O1^xxvii	180.0	C2E^xxxvii—C2D—C2E^xxxii	138 (10)
O1^xxix—Na—O1^xxviii	180.0	C2E^xxxviii—C2D—C2E^xxxi	138 (10)
O1^xxv—Na—C2D^xxxii	100 (3)	C2E^xxxviii—C2D—C2E^xxxiv	23 (8)
O1^xxiv—Na—C2D^xxxii	90.00 (2)	C2E^xxxviii—C2D—C2E^xxxii	36 (10)
O1^xxviii—Na—C2D^xxxii	80 (3)	C2E^xxxvii—C2D—C2E^xxxi	36 (10)
O1^xxiv—Na—C2D^xxxi	100 (3)	C2E^xxxvii—C2D—C2E^xxxiv	147 (10)
O1^xxiv—Na—C2D^xxx	80 (3)	C2E^xxxvii—C2D—C2E^xxxviii	170 (10)
O1^xxvii—Na—C2D^xxx	100 (3)	C2E^xxxi—C2D—C2E^xxxiv	120 (10)
O1^xxvi—Na—C2D^xxxii	80 (3)	C2E^xxxii—C2D—C2E^xxxiv	28 (7)
O1^xxix—Na—C2D^xxx	100 (3)	C2B^vi—C2E—C2B^xxxiii	60 (10)
O1^xxv—Na—C2D^xxx	90.000 (9)	C2B^vi—C2E—C2B^xxxiv	60 (10)
O1^xxvii—Na—C2D^xxxii	90.000 (4)	C2B^xxxiv—C2E—C2B^xxxiii	54 (10)
O1^xxix—Na—C2D^xxxii	100 (3)	C2B^vi—C2E—C2C	110 (10)
O1^xxviii—Na—C2D^xxx	80 (3)	C2B^vi—C2E—C2D^xxxvi	61 (9)
O1^xxvi—Na—C2D^xxxi	90.000 (7)	C2B^vi—C2E—C2D^xxxv	61 (9)
O1^xxviii—Na—C2D^xxxi	100 (3)	C2C^viii—C2E—C2B^xxxiv	123 (10)
O1^xxvi—Na—C2D^xxx	90.000 (17)	C2C—C2E—C2B^xxxiii	58 (9)
O1^xxv—Na—C2D^xxxi	90.000 (16)	C2C^viii—C2E—C2B^xxxiii	69 (10)
O1^xxvii—Na—C2D^xxxi	80 (3)	C2C^vii—C2E—C2B^xxxiii	123 (10)
O1^xxix—Na—C2D^xxxi	80 (3)	C2C^vii—C2E—C2B^xxxiv	69 (10)
C2D^xxxi—Na—C2D^xxx	180 (3)	C2C^vii—C2E—C2B^vi	89 (10)
C2D^xxxi—Na—C2D^xxxii	19 (6)	C2C^viii—C2E—C2B^vi	89 (10)
C2D^xxx—Na—C2D^xxxii	161 (6)	C2C—C2E—C2B^xxxiv	58 (8)
C2B^xxxiii—C2B—C2B^vi	60.00 (2)	C2C^viii—C2E—C2C^vii	165 (10)
C2B^xxxiii—C2B—C2B^xxxiv	60.00 (3)	C2C^viii—C2E—C2C	97 (8)
C2B^xxxiv—C2B—C2B^vi	59.997 (19)	C2C^vii—C2E—C2C	97 (8)
C2D—C2B—C2B^xxxiii	82 (10)	C2C^vii—C2E—C2D^xxxv	142 (10)
C2D^xxxii—C2B—C2B^xxxiv	63 (10)	C2C^viii—C2E—C2D^xxxv	47 (10)
C2D^xxxi—C2B—C2B^xxxiv	114 (10)	C2C^viii—C2E—C2D^xxxvii	57 (10)
C2D^viii—C2B—C2B^xxxiii	82 (10)	C2C^vii—C2E—C2D^xxxvii	120 (10)
C2D—C2B—C2B^xxxiv	82 (10)	C2C^vii—C2E—C2D^xxxviii	57 (10)
C2D^vii—C2B—C2B^xxxiii	26 (10)	C2C^viii—C2E—C2D^xxxvi	142 (10)
C2D^xxxi—C2B—C2B^vi	114 (10)	C2C^viii—C2E—C2D^xxxviii	120 (10)
C2D^viii—C2B—C2B^xxxiv	26 (10)	C2C^vii—C2E—C2D^xxxvi	47 (10)
C2D^vi—C2B—C2B^vi	63 (10)	C2D^xxxviii—C2E—C2B^xxxiv	54 (9)
C2D^xxxi—C2B—C2B^xxxiii	63 (10)	C2D^xxxvii—C2E—C2B^xxxiii	54 (9)
C2D^viii—C2B—C2B^vi	82 (10)	C2D^xxxv—C2E—C2B^xxxiii	23 (10)
C2D—C2B—C2B^vi	26 (10)	C2D^xxxvii—C2E—C2B^xxxiv	84 (10)
C2D^vi—C2B—C2B^xxxiii	114 (10)	C2D^xxxviii—C2E—C2B^vi	33 (10)
C2D^xxxii—C2B—C2B^xxxiii	114 (10)	C2D^xxxviii—C2E—C2B^xxxiii	84 (10)
C2D^vi—C2B—C2B^xxxiv	114 (10)	C2D^xxxvi—C2E—C2B^xxxiv	23 (10)
C2D^xxxii—C2B—C2B^vi	114 (10)	C2D^xxxv—C2E—C2B^xxxiv	76 (10)
C2D^vii—C2B—C2B^xxxiv	82 (10)	C2D^xxxvi—C2E—C2B^xxxiii	76 (10)
C2D^vii—C2B—C2B^vi	82 (10)	C2D^xxxvii—C2E—C2B^vi	33 (10)
C2D^xxxi—C2B—C2D^viii	120 (10)	C2D^xxxvii—C2E—C2C	112 (10)
C2D^xxxi—C2B—C2D^xxxii	118 (10)	C2D^xxxviii—C2E—C2C	112 (10)
C2D^vi—C2B—C2D^vii	120 (10)	C2D^xxxvi—C2E—C2C	74 (10)
C2D^viii—C2B—C2D^vii	99 (10)	C2D^xxxv—C2E—C2C	74 (10)
C2D^vi—C2B—C2D	37 (10)	C2D^xxxvi—C2E—C2D^xxxv	96 (10)
C2D^xxxi—C2B—C2D	120 (10)	C2D^xxxviii—C2E—C2D^xxxv	92 (10)
C2D—C2B—C2D^viii	99 (10)	C2D^xxxvii—C2E—C2D^xxxv	41 (10)
C2D^xxxii—C2B—C2D^viii	37 (10)	C2D^xxxviii—C2E—C2D^xxxvi	41 (10)
C2D^xxxi—C2B—C2D^vii	37 (10)	C2D^xxxvii—C2E—C2D^xxxvi	92 (10)
C2D^xxxi—C2B—C2D^vi	118 (10)	C2D^xxxvii—C2E—C2D^xxxviii	64 (10)
C2D^xxxii—C2B—C2D	120 (10)	C2E^vii—C2E—C2B^xxxiv	76 (3)
C2D^vi—C2B—C2D^viii	120 (10)	C2E^viii—C2E—C2B^xxxiv	46 (10)
C2D^xxxii—C2B—C2D^vi	118 (10)	C2E^vii—C2E—C2B^vi	106 (10)
C2D—C2B—C2D^vii	99 (10)	C2E^viii—C2E—C2B^vi	106 (10)
C2D^xxxii—C2B—C2D^vii	120 (10)	C2E^vii—C2E—C2B^xxxiii	46 (10)
C2D^vi—C2B—C2E^vi	171 (10)	C2E^viii—C2E—C2B^xxxiii	76 (3)
C2D^xxxi—C2B—C2E^vi	60.3 (14)	C2E^viii—C2E—C2C^viii	127 (7)
C2D^xxxii—C2B—C2E^vi	60.3 (14)	C2E^vii—C2E—C2C^vii	127 (7)
C2D^xxxii—C2B—C2E^xxxi	60.3 (14)	C2E^viii—C2E—C2C	30.0 (3)
C2D^xxxi—C2B—C2E^xxxii	60.3 (14)	C2E^vii—C2E—C2C^viii	67 (8)
C2D^vi—C2B—C2E^xxxii	60.3 (14)	C2E^viii—C2E—C2C^vii	67 (8)
C2D^vi—C2B—C2E^xxxi	60.3 (14)	C2E^vii—C2E—C2C	30.0 (3)
C2D^xxxi—C2B—C2E^xxxi	171 (10)	C2E^vii—C2E—C2D^xxxvi	97 (9)
C2D^xxxii—C2B—C2E^xxxii	171 (10)	C2E^viii—C2E—C2D^xxxviii	93 (10)
C2E^xxxi—C2B—C2B^xxxiv	74 (10)	C2E^viii—C2E—C2D^xxxvii	125 (10)
C2E^xxxii—C2B—C2B^vi	74 (10)	C2E^viii—C2E—C2D^xxxv	97 (9)
C2E^xxxi—C2B—C2B^xxxiii	126 (10)	C2E^vii—C2E—C2D^xxxviii	125 (10)
C2E^xxxi—C2B—C2B^vi	74 (10)	C2E^vii—C2E—C2D^xxxv	52 (7)
C2E^vi—C2B—C2B^xxxiv	74 (10)	C2E^viii—C2E—C2D^xxxvi	52 (7)
C2E^vi—C2B—C2B^vi	126 (10)	C2E^vii—C2E—C2D^xxxvii	93 (10)
C2E^xxxii—C2B—C2B^xxxiii	74 (10)	C2E^viii—C2E—C2E^vii	59.99 (5)

Symmetry codes: (i) y−1/4, −x, z+3/4; (ii) −x, y−1/4, z+3/4; (iii) −x+1/4, −y+1/4, z; (iv) −z+1/4, −y+1/4, x; (v) x−1/2, y−1/2, z; (vi) −x+3/4, −y+3/4, z; (vii) z, x, y; (viii) y, z, x; (ix) −y+1, x−1/4, z−1/4; (x) y−1/4, −x+1, z−1/4; (xi) −y+1/4, x, −z+1/4; (xii) y, −x+1/4, −z+1/4; (xiii) −y, x+1/4, z−3/4; (xiv) y, −z+3/4, −x−1/4; (xv) −y+1/2, x−1/4, z−3/4; (xvi) z, −y+1/4, −x+1/4; (xvii) x, y−1/2, z−1/2; (xviii) −x+1/2, −y+1/2, −z+1; (xix) z, x+1/2, y+1/2; (xx) −z+1, −x+1/2, −y+1/2; (xxi) x+1/2, y+1/2, z; (xxii) −y+1/2, −z+1, −x+1/2; (xxiii) y+1/2, z, x+1/2; (xxiv) −y+3/4, x+1/2, −z+1/4; (xxv) x+1/2, −y+3/4, −z+1/4; (xxvi) −x+1/2, y+1/4, z+3/4; (xxvii) y+1/4, −x+1/2, z+3/4; (xxviii) z+3/4, y+1/4, −x+1/2; (xxix) −z+1/4, −y+3/4, x+1/2; (xxx) −z+1, y+1/4, x+1/4; (xxxi) z, −y+3/4, −x+3/4; (xxxii) −x+3/4, z, −y+3/4; (xxxiii) y, −x+3/4, −z+3/4; (xxxiv) −y+3/4, x, −z+3/4; (xxxv) −x+3/4, −z+3/4, y; (xxxvi) −z+3/4, −y+3/4, x; (xxxvii) y, −z+3/4, −x+3/4; (xxxviii) −z+3/4, x, −y+3/4.

(100k_mcl) top

Crystal data top

0.02(C₁₆O₂₇₂Si₁₃₆)·0.02(C_27.48)	Z = 60
M_r = 143.59	F(000) = 4301
Monoclinic, A2/n	D_x = 1.973 Mg m⁻³
a = 23.7054 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.6861 (11) Å	Cell parameters from 62616 reflections
c = 23.7051 (2) Å	θ = 3–67°
β = 109.47°	µ = 0.71 mm⁻¹
V = 7251.0 (6) Å³	T = 100 K

Data collection top

Platelet diffractometer	θ_max = 33.5°, θ_min = 2.1°
93896 measured reflections	h = −20→36
19227 independent reflections	k = −20→21
8811 reflections with I > 2σ(I)	l = −36→28
R_int = 0.138

Refinement top

Refinement on F²	533 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.071	w = 1/[σ²(F_o²) + (0.1P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.199	(Δ/σ)_max = 0.025
S = 0.90	Δρ_max = 1.20 e Å⁻³
19227 reflections	Δρ_min = −1.11 e Å⁻³

Special details top

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1A	0.01341 (6)	0.99956 (9)	0.14467 (5)	0.0095 (2)
Si1B	0.18522 (6)	0.19914 (9)	0.25440 (6)	0.0118 (2)
Si1C	0.18586 (6)	0.78597 (9)	0.25739 (6)	0.0107 (2)
Si1D	0.99718 (6)	0.31340 (10)	0.43520 (6)	0.0130 (2)
Si1E	0.99716 (6)	0.69140 (10)	0.43300 (6)	0.0120 (2)
Si1F	0.18483 (6)	0.88640 (10)	0.57130 (6)	0.0131 (2)
Si1G	0.18689 (6)	0.11614 (10)	0.56420 (6)	0.0128 (2)
Si1H	0.18310 (6)	0.31299 (10)	0.36981 (6)	0.0131 (2)
Si1I	0.18257 (6)	0.68932 (10)	0.37828 (6)	0.0132 (2)
Si1J	0.13160 (6)	0.99430 (10)	0.25943 (6)	0.0122 (2)
Si1K	0.11135 (6)	0.81758 (10)	0.44047 (6)	0.0132 (2)
Si1L	0.11068 (6)	0.19369 (10)	0.43512 (6)	0.0129 (2)
Si2A	0.89261 (6)	0.99590 (10)	0.17166 (6)	0.0115 (2)
Si2B	0.10972 (6)	0.67832 (9)	0.14085 (6)	0.0107 (2)
Si2C	0.89420 (6)	0.18422 (10)	0.35552 (6)	0.0129 (2)
Si2D	0.07428 (6)	0.00237 (10)	0.35980 (6)	0.0119 (2)
Si3	0.93740 (6)	0.99870 (10)	0.30821 (6)	0.0140 (2)
O1A	0.2500	0.2157 (5)	0.2500	0.0318 (15)
O1B	0.2500	0.7750 (5)	0.2500	0.0258 (13)
O1C	0.0110 (3)	0.9016 (4)	0.1087 (2)	0.0386 (12)
O1D	0.2494 (2)	0.8380 (4)	0.5926 (3)	0.0404 (12)
O1E	0.9987 (2)	0.3414 (3)	0.50131 (17)	0.0252 (8)
O1F	0.3559 (2)	0.6537 (4)	0.49953 (19)	0.0329 (11)
O1G	0.1458 (2)	0.8364 (4)	0.5100 (2)	0.0352 (11)
O1H	0.1578 (2)	0.2461 (4)	0.4108 (2)	0.0348 (11)
O1I	0.1705 (2)	0.8980 (3)	0.2588 (2)	0.0304 (10)
O1J	0.1560 (2)	0.7701 (4)	0.4115 (2)	0.0319 (10)
O1K	0.0172 (2)	0.0909 (3)	0.1051 (2)	0.0315 (10)
O1L	0.2521 (2)	0.1616 (4)	0.5772 (2)	0.0274 (9)
O1M	0.1745 (2)	0.0853 (3)	0.2597 (2)	0.0303 (10)
O2A	0.1353 (2)	0.7358 (3)	0.20223 (19)	0.0269 (9)
O2B	0.8643 (2)	0.2636 (4)	0.3057 (2)	0.0391 (12)
O2C	0.8603 (3)	0.9030 (4)	0.1336 (2)	0.0386 (12)
O2D	0.0603 (2)	0.7404 (4)	0.0922 (2)	0.0369 (12)
O2E	0.9451 (2)	0.2347 (4)	0.4093 (2)	0.0336 (11)
O2F	0.0796 (3)	0.1061 (4)	0.3914 (2)	0.0372 (11)
O2G	0.8464 (2)	0.1343 (4)	0.37900 (19)	0.0317 (11)
O2H	0.1172 (2)	0.9952 (4)	0.3209 (2)	0.0340 (10)
O2I	0.0891 (3)	0.9208 (4)	0.4097 (2)	0.0410 (14)
O2J	0.1621 (2)	0.6530 (4)	0.11566 (19)	0.0316 (10)
O2K	0.8555 (3)	0.0904 (4)	0.1461 (3)	0.0562 (18)
O2L	0.9567 (2)	0.0093 (4)	0.1651 (2)	0.0368 (12)
O3A	0.0716 (2)	0.9980 (3)	0.2034 (2)	0.0273 (8)
O3B	0.1902 (2)	0.0006 (3)	0.5633 (3)	0.0345 (10)
O3C	0.9405 (2)	0.2307 (4)	0.0631 (2)	0.0310 (10)
O3D	0.0558 (2)	0.7480 (4)	0.4343 (2)	0.0340 (11)
O3E	0.1861 (2)	0.7328 (3)	0.31789 (19)	0.0282 (9)
O3F	0.1790 (3)	0.2561 (4)	0.3106 (2)	0.0386 (13)
O4A	0.00697 (19)	0.9898 (3)	0.3161 (2)	0.0267 (9)
O4B	0.9252 (3)	0.1057 (4)	0.3258 (3)	0.0485 (15)
O4C	0.8991 (2)	0.9794 (4)	0.23960 (19)	0.0367 (12)
O4D	0.9208 (3)	0.9215 (4)	0.3497 (2)	0.0434 (14)
C1A	0.0000	0.2500	0.2500	0.038 (2)
C1B	0.0000	0.2500	0.7500	0.042 (3)
C1C	0.7500	0.0016 (8)	0.2500	0.039 (2)
C1D	0.0000	0.0000	0.5000	0.037 (2)
C2A	0.8139 (9)	0.4147 (14)	0.4076 (9)	0.050*	0.50 (2)
C2B	0.3013 (13)	0.907 (2)	0.4040 (13)	0.050*	0.35 (2)
C2C	0.8228 (15)	0.096 (3)	−0.0404 (15)	0.050*	0.29 (2)
C2D	0.2713 (18)	0.070 (3)	0.4424 (17)	0.050*	0.26 (2)
C2E	0.1821 (15)	0.004 (3)	0.1213 (16)	0.050*	0.30 (3)
C2F	0.1843 (15)	0.948 (3)	0.1162 (15)	0.050*	0.29 (3)
C2G	0.1795 (14)	0.585 (2)	0.5357 (13)	0.050*	0.32 (2)
C2H	0.257 (2)	−0.004 (3)	0.455 (2)	0.050*	0.21 (3)
C2I	0.2938 (14)	−0.012 (2)	0.4805 (14)	0.050*	0.33 (3)
C2J	0.282 (2)	0.925 (3)	0.459 (2)	0.050*	0.22 (2)
C2K	0.871 (3)	0.507 (4)	0.451 (3)	0.050*	0.17 (3)
C2L	0.875 (2)	0.499 (3)	0.480 (3)	0.050*	0.20 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1A	0.0147 (5)	0.0076 (5)	0.0090 (5)	−0.0011 (5)	0.0079 (4)	−0.0002 (4)
Si1B	0.0128 (6)	0.0110 (5)	0.0133 (6)	0.0004 (4)	0.0066 (5)	0.0019 (4)
Si1C	0.0119 (6)	0.0116 (5)	0.0105 (5)	−0.0004 (4)	0.0062 (5)	−0.0018 (4)
Si1D	0.0176 (7)	0.0114 (6)	0.0089 (5)	−0.0030 (5)	0.0029 (5)	0.0024 (4)
Si1E	0.0166 (6)	0.0097 (5)	0.0091 (5)	0.0008 (5)	0.0033 (5)	−0.0030 (4)
Si1F	0.0125 (6)	0.0148 (6)	0.0122 (6)	0.0007 (5)	0.0042 (5)	0.0016 (4)
Si1G	0.0143 (6)	0.0156 (6)	0.0099 (5)	−0.0011 (5)	0.0057 (5)	−0.0019 (4)
Si1H	0.0142 (6)	0.0094 (5)	0.0188 (6)	−0.0001 (5)	0.0095 (5)	0.0005 (5)
Si1I	0.0142 (6)	0.0102 (5)	0.0174 (6)	−0.0008 (5)	0.0082 (5)	0.0005 (4)
Si1J	0.0155 (5)	0.0106 (5)	0.0135 (5)	−0.0011 (5)	0.0087 (4)	−0.0010 (4)
Si1K	0.0164 (6)	0.0140 (6)	0.0099 (5)	0.0026 (5)	0.0055 (5)	0.0022 (4)
Si1L	0.0165 (6)	0.0138 (6)	0.0099 (5)	−0.0041 (5)	0.0063 (5)	−0.0014 (4)
Si2A	0.0109 (5)	0.0119 (5)	0.0126 (5)	0.0004 (5)	0.0053 (4)	0.0026 (4)
Si2B	0.0124 (6)	0.0112 (5)	0.0091 (5)	−0.0006 (5)	0.0043 (4)	0.0013 (4)
Si2C	0.0155 (6)	0.0113 (6)	0.0120 (5)	−0.0006 (5)	0.0046 (5)	−0.0005 (4)
Si2D	0.0171 (6)	0.0111 (5)	0.0083 (5)	0.0018 (5)	0.0052 (4)	0.0008 (4)
Si3	0.0181 (6)	0.0128 (5)	0.0133 (6)	−0.0038 (5)	0.0083 (4)	−0.0011 (5)
O1A	0.014 (3)	0.027 (3)	0.061 (4)	0.000	0.021 (3)	0.000
O1B	0.020 (3)	0.026 (3)	0.040 (3)	0.000	0.020 (3)	0.000
O1C	0.063 (4)	0.022 (2)	0.030 (2)	−0.003 (2)	0.015 (2)	−0.0184 (18)
O1D	0.021 (2)	0.047 (3)	0.051 (3)	0.017 (2)	0.010 (2)	0.002 (2)
O1E	0.040 (2)	0.0235 (19)	0.0130 (16)	0.0024 (18)	0.0104 (15)	0.0011 (14)
O1F	0.038 (3)	0.042 (3)	0.0156 (19)	−0.006 (2)	0.0052 (18)	−0.0112 (18)
O1G	0.045 (3)	0.038 (3)	0.019 (2)	−0.008 (2)	0.006 (2)	−0.0080 (18)
O1H	0.037 (3)	0.039 (3)	0.037 (3)	−0.010 (2)	0.025 (2)	0.008 (2)
O1I	0.029 (2)	0.0177 (19)	0.044 (3)	0.0039 (17)	0.012 (2)	−0.0035 (18)
O1J	0.035 (3)	0.033 (3)	0.035 (2)	0.005 (2)	0.022 (2)	−0.0073 (19)
O1K	0.047 (3)	0.021 (2)	0.025 (2)	−0.0019 (19)	0.010 (2)	0.0166 (16)
O1L	0.022 (2)	0.035 (2)	0.027 (2)	−0.0101 (18)	0.0103 (18)	−0.0075 (17)
O1M	0.027 (2)	0.0173 (19)	0.047 (3)	−0.0054 (16)	0.013 (2)	0.0020 (18)
O2A	0.027 (2)	0.033 (2)	0.022 (2)	−0.0051 (18)	0.0097 (18)	−0.0115 (17)
O2B	0.028 (2)	0.048 (3)	0.033 (3)	−0.002 (2)	−0.001 (2)	0.025 (2)
O2C	0.050 (3)	0.032 (3)	0.038 (3)	−0.021 (2)	0.019 (2)	−0.007 (2)
O2D	0.037 (3)	0.044 (3)	0.024 (2)	0.026 (2)	0.003 (2)	0.008 (2)
O2E	0.042 (3)	0.034 (3)	0.0186 (19)	−0.021 (2)	0.0015 (19)	0.0043 (17)
O2F	0.047 (3)	0.028 (2)	0.037 (3)	−0.010 (2)	0.015 (2)	−0.015 (2)
O2G	0.031 (2)	0.045 (3)	0.023 (2)	−0.020 (2)	0.0148 (19)	−0.0055 (18)
O2H	0.032 (2)	0.053 (3)	0.022 (2)	0.003 (2)	0.0164 (18)	−0.001 (2)
O2I	0.061 (4)	0.032 (3)	0.039 (3)	0.024 (2)	0.029 (3)	0.022 (2)
O2J	0.023 (2)	0.052 (3)	0.0207 (19)	0.005 (2)	0.0091 (17)	−0.0077 (19)
O2K	0.074 (5)	0.038 (3)	0.059 (4)	0.038 (3)	0.024 (4)	0.011 (3)
O2L	0.021 (2)	0.067 (4)	0.030 (2)	−0.006 (2)	0.0183 (19)	−0.002 (2)
O3A	0.0245 (19)	0.030 (2)	0.0217 (19)	−0.0019 (18)	0.0004 (15)	0.0038 (16)
O3B	0.039 (3)	0.0188 (18)	0.050 (3)	−0.0027 (19)	0.020 (2)	0.0033 (19)
O3C	0.028 (2)	0.038 (3)	0.029 (2)	0.0135 (19)	0.0127 (19)	0.0013 (18)
O3D	0.030 (2)	0.045 (3)	0.032 (2)	−0.019 (2)	0.017 (2)	−0.010 (2)
O3E	0.038 (3)	0.034 (2)	0.0191 (19)	0.0013 (19)	0.0186 (19)	0.0081 (16)
O3F	0.059 (4)	0.032 (3)	0.037 (3)	−0.012 (2)	0.033 (3)	−0.015 (2)
O4A	0.0171 (17)	0.041 (3)	0.0214 (19)	−0.0018 (17)	0.0056 (15)	−0.0071 (17)
O4B	0.056 (4)	0.021 (2)	0.088 (5)	0.001 (2)	0.050 (4)	−0.009 (3)
O4C	0.023 (2)	0.073 (4)	0.0140 (18)	−0.016 (2)	0.0062 (16)	0.004 (2)
O4D	0.068 (4)	0.039 (3)	0.022 (2)	−0.034 (3)	0.014 (2)	0.0020 (19)
C1A	0.043 (6)	0.041 (5)	0.031 (5)	−0.006 (4)	0.014 (4)	0.012 (4)
C1B	0.059 (7)	0.027 (5)	0.052 (6)	0.008 (5)	0.031 (6)	0.001 (4)
C1C	0.036 (5)	0.045 (6)	0.028 (4)	0.000	0.001 (4)	0.000
C1D	0.055 (6)	0.042 (5)	0.024 (4)	−0.002 (5)	0.026 (4)	−0.005 (4)

Geometric parameters (Å, º) top

Si1A—O1C	1.580 (4)	O2I—C1Bⁱⁱⁱ	4.351 (6)
Si1A—O1Kⁱ	1.584 (4)	O2I—C1Dⁱ	3.637 (5)
Si1A—O2Lⁱⁱ	1.581 (4)	O2J—Si1Gⁱⁱⁱ	1.602 (4)
Si1A—O3A	1.600 (4)	O2J—C1C^iv	3.812 (8)
Si1A—C1Aⁱ	4.3143 (12)	O2J—C1Dⁱⁱⁱ	4.432 (5)
Si1A—C1Bⁱⁱⁱ	4.3047 (12)	O2K—Si1H^iv	1.581 (5)
Si1B—O1A	1.5898 (16)	O2K—Si2A^xvi	1.567 (5)
Si1B—O1M	1.591 (4)	O2K—C1A^vi	4.116 (8)
Si1B—O2B^iv	1.597 (5)	O2K—C1C	4.232 (7)
Si1B—O3F	1.592 (4)	O2L—Si1A^xix	1.581 (4)
Si1B—C1A	4.4122 (14)	O2L—Si2A^xvi	1.587 (4)
Si1B—C1C^iv	4.388 (11)	O2L—C1A^vi	3.819 (5)
Si1C—O1B	1.5945 (14)	O2L—C1B^xx	4.039 (6)
Si1C—O1I	1.578 (4)	O3A—C1Aⁱ	4.153 (5)
Si1C—O2A	1.604 (5)	O3A—C1Bⁱⁱⁱ	4.107 (4)
Si1C—O3E	1.606 (4)	O3B—Si1F^xvi	1.585 (5)
Si1C—C1Bⁱⁱⁱ	4.3784 (13)	O3B—C1C^xiv	4.173 (6)
Si1C—C1C^iv	4.244 (11)	O3B—C1D	4.252 (5)
Si1D—O1E	1.602 (4)	O3C—Si1D^v	1.585 (5)
Si1D—O1K^iv	1.589 (4)	O3C—Si1L^iv	1.604 (5)
Si1D—O2E	1.599 (5)	O3C—C1A^vi	4.186 (5)
Si1D—O3C^v	1.585 (5)	O3C—C1D^ix	4.384 (5)
Si1D—C1A^vi	4.4973 (12)	O3D—Si1E^xxi	1.582 (4)
Si1D—C1D^vi	4.5489 (13)	O3D—C1Bⁱⁱⁱ	4.122 (5)
Si1E—O1C^vii	1.583 (4)	O3D—C1Dⁱ	4.176 (5)
Si1E—O1E^viii	1.592 (4)	O3E—C1Bⁱⁱⁱ	4.168 (5)
Si1E—O2D^vii	1.594 (5)	O3E—C1C^iv	4.099 (10)
Si1E—O3D^vi	1.582 (4)	O3F—C1A	4.002 (6)
Si1E—C1B^ix	4.4340 (12)	O3F—C1C^iv	4.184 (10)
Si1E—C1D^x	4.5049 (13)	O4A—Si2Dⁱ	1.596 (4)
Si1F—O1D	1.588 (5)	O4A—Si3^xxi	1.601 (4)
Si1F—O1G	1.594 (5)	O4A—C1Aⁱ	3.872 (5)
Si1F—O2G^xi	1.612 (4)	O4A—C1Bⁱⁱⁱ	3.616 (4)
Si1F—O3Bⁱ	1.585 (5)	O4A—C1Dⁱ	4.420 (4)
Si1F—C1C^xi	4.280 (4)	O4B—Si3^xvi	1.577 (5)
Si1F—C1Dⁱ	4.4199 (16)	O4B—C1A^vi	3.522 (5)
Si1G—O1F^xii	1.598 (5)	O4B—C1C	4.187 (8)
Si1G—O1L	1.598 (4)	O4B—C1D^vi	4.172 (7)
Si1G—O2J^xiii	1.602 (4)	O4C—C1A^x	4.370 (5)
Si1G—O3B	1.583 (5)	O4C—C1B^ix	3.905 (6)
Si1G—C1C^xiv	4.454 (4)	O4C—C1Cⁱ	3.637 (5)
Si1G—C1D	4.4694 (16)	O4D—Si2B^vii	1.595 (5)
Si1H—O1D^xii	1.587 (5)	O4D—C1B^ix	4.193 (6)
Si1H—O1H	1.591 (4)	O4D—C1Cⁱ	4.098 (7)
Si1H—O2K^iv	1.581 (5)	O4D—C1D^x	3.594 (5)
Si1H—O3F	1.580 (5)	C1A—O2B^xxi	3.867 (5)
Si1H—C1A	4.4081 (16)	C1A—O2B^iv	3.867 (5)
Si1H—C1C^iv	4.475 (7)	C1A—O2F^xxii	3.803 (6)
Si1I—O1J	1.603 (4)	C1A—O2K^iv	4.116 (8)
Si1I—O1L^xv	1.602 (5)	C1A—O2K^xxi	4.116 (8)
Si1I—O2C^vii	1.587 (5)	C1A—O2L^iv	3.819 (5)
Si1I—O3E	1.578 (4)	C1A—O2L^xxi	3.819 (5)
Si1I—C1Bⁱⁱⁱ	4.4602 (16)	C1A—O3A^xxiii	4.153 (5)
Si1I—C1C^iv	4.676 (7)	C1A—O3F^xxii	4.002 (6)
Si1J—O1I	1.612 (5)	C1A—O4A^xvi	3.872 (5)
Si1J—O1Mⁱ	1.607 (4)	C1A—O4A^xxiii	3.872 (5)
Si1J—O2H	1.604 (4)	C1A—O4B^iv	3.522 (5)
Si1J—O3A	1.591 (4)	C1A—O4B^xxi	3.522 (5)
Si1J—C1Aⁱ	4.6437 (18)	C1B—Si3^xi	4.1300 (15)
Si1J—C1Bⁱⁱⁱ	4.5273 (18)	C1B—O1C^xiii	4.023 (5)
Si1K—O1G	1.598 (5)	C1B—O1C^xxiv	4.023 (5)
Si1K—O1J	1.580 (4)	C1B—O2A^xxiv	3.745 (4)
Si1K—O2I	1.597 (5)	C1B—O2A^xiii	3.745 (4)
Si1K—O3D	1.593 (5)	C1B—O2C^xxv	4.107 (6)
Si1K—C1Bⁱⁱⁱ	4.5017 (14)	C1B—O2C^xi	4.107 (6)
Si1K—C1Dⁱ	4.2042 (15)	C1B—O2L^xxvi	4.039 (6)
Si1L—O1F^xii	1.584 (5)	C1B—O2L^xiv	4.039 (6)
Si1L—O1H	1.589 (4)	C1B—O3A^xiii	4.107 (4)
Si1L—O2F	1.594 (5)	C1B—O3A^xxiv	4.107 (4)
Si1L—O3C^iv	1.604 (5)	C1B—O4A^xxiv	3.616 (5)
Si1L—C1A	4.3657 (14)	C1B—O4A^xiii	3.616 (5)
Si1L—C1D	4.3550 (15)	C1B—O4C^xi	3.905 (6)
Si2A—O2C	1.599 (5)	C1B—O4C^xxv	3.905 (6)
Si2A—O2Kⁱ	1.567 (5)	C1C—O1A^iv	3.869 (14)
Si2A—O2Lⁱ	1.587 (4)	C1C—O1B^iv	3.786 (13)
Si2A—O4C	1.582 (4)	C1C—O2A^xxvii	4.145 (10)
Si2A—C1A^x	4.3441 (17)	C1C—O2A^iv	4.145 (10)
Si2A—C1B^ix	4.2549 (17)	C1C—O2G^xxviii	3.635 (7)
Si2A—C1Cⁱ	4.3668 (12)	C1C—O2J^xxvii	3.812 (8)
Si2B—O2A	1.586 (4)	C1C—O2J^iv	3.812 (8)
Si2B—O2D	1.589 (5)	C1C—O3E^xxvii	4.099 (10)
Si2B—O2J	1.585 (4)	C1C—O3E^iv	4.099 (10)
Si2B—O4D^vii	1.596 (5)	C1C—O3F^iv	4.184 (10)
Si2B—C1Bⁱⁱⁱ	4.3484 (12)	C1C—O4C^xvi	3.637 (5)
Si2B—C1C^iv	4.252 (7)	C1C—O4C^xxix	3.637 (5)
Si2B—C1Dⁱⁱⁱ	4.2521 (16)	C1C—O4D^xvi	4.098 (7)
Si2C—O2B	1.587 (5)	C1C—O4D^xxix	4.098 (7)
Si2C—O2E	1.591 (5)	C1D—O1F^xxx	4.009 (5)
Si2C—O2G	1.575 (4)	C1D—O1F^xii	4.009 (5)
Si2C—O4B	1.591 (5)	C1D—O1G^xxiv	4.058 (6)
Si2C—C1A^vi	4.1879 (12)	C1D—O1G^xvi	4.058 (6)
Si2C—C1C	4.300 (7)	C1D—O2D^xiii	3.944 (6)
Si2C—C1D^vi	4.3187 (16)	C1D—O2D^xxii	3.944 (6)
Si2D—O2F	1.591 (5)	C1D—O2E^xiv	3.843 (5)
Si2D—O2H^xvi	1.587 (4)	C1D—O2E^xxi	3.843 (5)
Si2D—O2I^xvi	1.579 (5)	C1D—O2F^xxxi	3.942 (5)
Si2D—O4A^xvi	1.596 (4)	C1D—O2I^xvi	3.637 (5)
Si2D—C1A	4.2786 (15)	C1D—O2I^xxiv	3.637 (5)
Si2D—C1B^xvii	4.3301 (15)	C1D—O4B^xiv	4.172 (7)
Si2D—C1D	4.2482 (12)	C1D—O4D^xxxii	3.594 (5)
Si3—O4A^vi	1.601 (4)	C1D—O4D^xi	3.594 (5)
Si3—O4Bⁱ	1.577 (5)	C2A—C2D^xxvii	1.52 (4)
Si3—O4C	1.598 (5)	C2A—C2E^iv	1.33 (4)
Si3—O4D	1.581 (4)	C2A—C2F^vii	1.96 (4)
Si3—C1A^x	4.1593 (15)	C2A—C2G^xi	1.30 (3)
Si3—C1B^ix	4.1300 (15)	C2A—C2K	1.89 (6)
Si3—C1Cⁱ	4.1899 (14)	C2B—C2C^xxxiii	1.24 (4)
Si3—C1D^x	4.2865 (14)	C2B—C2E^xxxiv	1.56 (5)
O1A—Si1B^xviii	1.5898 (16)	C2B—C2F^xviii	0.88 (4)
O1A—C1C^iv	3.869 (14)	C2B—C2J	1.54 (5)
O1B—Si1C^xviii	1.5945 (14)	C2C—C2B^xxxv	1.24 (4)
O1B—C1C^iv	3.786 (13)	C2C—C2F^xxxvi	1.85 (5)
O1C—Si1E^vii	1.583 (4)	C2C—C2I^xxxvii	1.50 (4)
O1C—C1Bⁱⁱⁱ	4.023 (5)	C2C—C2J^xxxv	1.00 (5)
O1D—Si1H^xv	1.587 (5)	C2C—C2K^xvii	1.73 (7)
O1D—C1C^xi	4.325 (8)	C2C—C2L^xvii	1.77 (6)
O1E—Si1E^viii	1.592 (4)	C2D—C2A^xxx	1.52 (4)
O1F—Si1G^xv	1.598 (5)	C2D—C2E^xviii	2.33 (5)
O1F—Si1L^xv	1.584 (5)	C2D—C2G^xii	1.13 (5)
O1F—C1D^xv	4.009 (5)	C2D—C2H	1.13 (6)
O1G—C1Dⁱ	4.058 (6)	C2D—C2I	1.43 (5)
O1H—C1A	4.362 (5)	C2E—C2A^iv	1.33 (4)
O1I—C1Bⁱⁱⁱ	4.463 (5)	C2E—C2B^xxxviii	1.56 (5)
O1J—C1Bⁱⁱⁱ	4.355 (5)	C2E—C2D^xviii	2.33 (5)
O1K—Si1A^xvi	1.584 (4)	C2E—C2F^xvi	0.77 (4)
O1K—Si1D^iv	1.589 (4)	C2F—C2A^vii	1.96 (4)
O1K—C1A	4.200 (5)	C2F—C2B^xviii	0.88 (4)
O1L—Si1I^xii	1.602 (5)	C2F—C2C^xxxvi	1.85 (5)
O1M—Si1J^xvi	1.607 (4)	C2F—C2Eⁱ	0.77 (4)
O1M—C1A	4.649 (5)	C2F—C2K^vii	1.79 (8)
O2A—C1Bⁱⁱⁱ	3.745 (4)	C2G—C2A^xi	1.30 (3)
O2A—C1C^iv	4.145 (10)	C2G—C2D^xv	1.13 (5)
O2B—Si1B^iv	1.597 (5)	C2G—C2H^xv	1.88 (6)
O2B—C1A^vi	3.867 (5)	C2G—C2I^xv	1.57 (4)
O2B—C1C	4.422 (11)	C2G—C2K^xi	1.84 (7)
O2C—Si1I^vii	1.587 (5)	C2G—C2L^xi	1.67 (6)
O2C—C1B^ix	4.107 (6)	C2H—C2G^xii	1.88 (6)
O2C—C1Cⁱ	4.593 (6)	C2H—C2I	0.89 (6)
O2D—Si1E^vii	1.594 (5)	C2H—C2J^xvi	1.13 (6)
O2D—C1Bⁱⁱⁱ	4.430 (5)	C2I—C2C^xxxix	1.50 (4)
O2D—C1Dⁱⁱⁱ	3.944 (6)	C2I—C2G^xii	1.57 (4)
O2E—C1A^vi	4.390 (4)	C2I—C2J^xvi	0.98 (5)
O2E—C1D^vi	3.843 (5)	C2J—C2C^xxxiii	1.00 (5)
O2F—C1A	3.803 (6)	C2J—C2Hⁱ	1.13 (6)
O2F—C1D	3.942 (5)	C2J—C2Iⁱ	0.98 (5)
O2G—Si1F^xi	1.612 (4)	C2K—C2C^xl	1.73 (7)
O2G—C1C	3.635 (7)	C2K—C2F^vii	1.79 (8)
O2G—C1D^vi	4.230 (5)	C2K—C2G^xi	1.84 (7)
O2H—Si2Dⁱ	1.587 (4)	C2K—C2L	0.68 (7)
O2H—C1Aⁱ	4.425 (5)	C2L—C2C^xl	1.77 (6)
O2H—C1Bⁱⁱⁱ	4.323 (5)	C2L—C2G^xi	1.68 (6)
O2I—Si2Dⁱ	1.579 (5)

O1C—Si1A—O1Kⁱ	110.4 (3)	O2F^xxii—C1A—O3F	117.45 (11)
O1C—Si1A—O2Lⁱⁱ	110.9 (3)	O2F^xxii—C1A—O3F^xxii	62.55 (11)
O1C—Si1A—O3A	108.9 (3)	O2F—C1A—O3F^xxii	117.45 (11)
O1C—Si1A—C1Aⁱ	172.1 (2)	O2F—C1A—O3F	62.55 (11)
O1C—Si1A—C1Bⁱⁱⁱ	69.1 (2)	O2K^iv—C1A—O2K^xxi	180.0
O1Kⁱ—Si1A—O2Lⁱⁱ	109.8 (3)	O2K^xxi—C1A—O3A^xxiii	105.53 (9)
O1Kⁱ—Si1A—O3A	108.9 (3)	O2K^iv—C1A—O3A^xxiii	74.47 (9)
O1Kⁱ—Si1A—C1Aⁱ	75.25 (18)	O2L^iv—C1A—O2F	90.85 (11)
O1Kⁱ—Si1A—C1Bⁱⁱⁱ	179.0 (2)	O2L^xxi—C1A—O2F^xxii	90.86 (11)
O2Lⁱⁱ—Si1A—O3A	108.0 (3)	O2L^iv—C1A—O2F^xxii	89.14 (11)
O2Lⁱⁱ—Si1A—C1Aⁱ	61.4 (2)	O2L^xxi—C1A—O2F	89.15 (11)
O2Lⁱⁱ—Si1A—C1Bⁱⁱⁱ	69.7 (2)	O2L^iv—C1A—O2K^iv	37.13 (10)
O3A—Si1A—C1Aⁱ	73.49 (18)	O2L^xxi—C1A—O2K^xxi	37.13 (10)
O3A—Si1A—C1Bⁱⁱⁱ	72.15 (16)	O2L^xxi—C1A—O2K^iv	142.87 (10)
C1Bⁱⁱⁱ—Si1A—C1Aⁱ	105.11 (2)	O2L^iv—C1A—O2K^xxi	142.87 (10)
O1A—Si1B—O2B^iv	109.6 (2)	O2L^iv—C1A—O2L^xxi	180.00 (9)
O1A—Si1B—C1A	162.1 (2)	O2L^iv—C1A—O3A^xxiii	37.37 (9)
O1A—Si1B—C1C^iv	60.8 (2)	O2L^xxi—C1A—O3A^xxiii	142.63 (9)
O1M—Si1B—O1A	109.1 (3)	O2L^iv—C1A—O3F^xxii	105.90 (10)
O1M—Si1B—O2B^iv	107.1 (3)	O2L^xxi—C1A—O3F	105.90 (10)
O1M—Si1B—O3F	110.6 (3)	O2L^iv—C1A—O3F	74.10 (10)
O1M—Si1B—C1A	88.44 (17)	O2L^xxi—C1A—O3F^xxii	74.10 (10)
O1M—Si1B—C1C^iv	169.35 (19)	O3F^xxii—C1A—O2K^xxi	37.16 (10)
O2B^iv—Si1B—C1A	59.92 (19)	O3F^xxii—C1A—O2K^iv	142.84 (10)
O2B^iv—Si1B—C1C^iv	80.8 (2)	O3F—C1A—O2K^iv	37.16 (10)
O3F—Si1B—O1A	110.2 (3)	O3F—C1A—O2K^xxi	142.84 (10)
O3F—Si1B—O2B^iv	110.1 (3)	O3F^xxii—C1A—O3A^xxiii	68.55 (9)
O3F—Si1B—C1A	64.8 (2)	O3F—C1A—O3A^xxiii	111.45 (9)
O3F—Si1B—C1C^iv	72.14 (18)	O3F—C1A—O3F^xxii	180.0
C1C^iv—Si1B—C1A	101.86 (7)	O4A^xvi—C1A—O2B^xxi	80.46 (10)
O1B—Si1C—O2A	110.55 (19)	O4A^xxiii—C1A—O2B^xxi	99.54 (10)
O1B—Si1C—O3E	109.6 (2)	O4A^xxiii—C1A—O2B^iv	80.46 (10)
O1B—Si1C—C1Bⁱⁱⁱ	165.63 (19)	O4A^xvi—C1A—O2B^iv	99.54 (10)
O1B—Si1C—C1C^iv	62.6 (2)	O4A^xxiii—C1A—O2F	140.77 (10)
O1I—Si1C—O1B	109.2 (3)	O4A^xvi—C1A—O2F	39.23 (10)
O1I—Si1C—O2A	108.5 (3)	O4A^xxiii—C1A—O2F^xxii	39.23 (10)
O1I—Si1C—O3E	110.7 (3)	O4A^xvi—C1A—O2F^xxii	140.77 (10)
O1I—Si1C—C1Bⁱⁱⁱ	82.75 (18)	O4A^xxiii—C1A—O2K^iv	70.65 (10)
O1I—Si1C—C1C^iv	171.83 (19)	O4A^xvi—C1A—O2K^xxi	70.65 (10)
O2A—Si1C—C1Bⁱⁱⁱ	56.68 (14)	O4A^xvi—C1A—O2K^iv	109.35 (10)
O2A—Si1C—C1C^iv	75.53 (18)	O4A^xxiii—C1A—O2K^xxi	109.35 (10)
O3E—Si1C—O2A	108.3 (3)	O4A^xvi—C1A—O2L^xxi	52.21 (10)
O3E—Si1C—C1Bⁱⁱⁱ	71.85 (18)	O4A^xxiii—C1A—O2L^xxi	127.79 (10)
O3E—Si1C—C1C^iv	73.89 (17)	O4A^xxiii—C1A—O2L^iv	52.21 (10)
C1C^iv—Si1C—C1Bⁱⁱⁱ	105.29 (7)	O4A^xvi—C1A—O2L^iv	127.79 (10)
O1E—Si1D—C1A^vi	176.59 (18)	O4A^xvi—C1A—O3A^xxiii	128.50 (9)
O1E—Si1D—C1D^vi	84.39 (16)	O4A^xxiii—C1A—O3A^xxiii	51.50 (9)
O1K^iv—Si1D—O1E	108.7 (2)	O4A^xxiii—C1A—O3F	91.33 (10)
O1K^iv—Si1D—O2E	109.9 (3)	O4A^xvi—C1A—O3F	88.67 (10)
O1K^iv—Si1D—C1A^vi	69.06 (18)	O4A^xxiii—C1A—O3F^xxii	88.68 (10)
O1K^iv—Si1D—C1D^vi	162.9 (2)	O4A^xvi—C1A—O3F^xxii	91.32 (10)
O2E—Si1D—O1E	107.5 (2)	O4A^xxiii—C1A—O4A^xvi	180.0
O2E—Si1D—C1A^vi	75.87 (17)	O4B^iv—C1A—O2B^iv	40.08 (12)
O2E—Si1D—C1D^vi	54.36 (19)	O4B^xxi—C1A—O2B^xxi	40.08 (12)
O3C^v—Si1D—O1E	110.4 (3)	O4B^xxi—C1A—O2B^iv	139.92 (11)
O3C^v—Si1D—O1K^iv	110.0 (3)	O4B^iv—C1A—O2B^xxi	139.92 (12)
O3C^v—Si1D—O2E	110.3 (3)	O4B^xxi—C1A—O2F^xxii	123.62 (14)
O3C^v—Si1D—C1A^vi	68.55 (17)	O4B^iv—C1A—O2F^xxii	56.38 (14)
O3C^v—Si1D—C1D^vi	73.94 (19)	O4B^iv—C1A—O2F	123.62 (14)
C1A^vi—Si1D—C1D^vi	98.30 (3)	O4B^xxi—C1A—O2F	56.38 (14)
O1C^vii—Si1E—O2D^vii	109.0 (3)	O4B^iv—C1A—O2K^xxi	116.89 (15)
O1C^vii—Si1E—O3D^vi	109.3 (3)	O4B^xxi—C1A—O2K^xxi	63.11 (15)
O1C^vii—Si1E—C1B^ix	64.8 (2)	O4B^iv—C1A—O2K^iv	63.11 (15)
O1C^vii—Si1E—C1D^x	163.4 (2)	O4B^xxi—C1A—O2K^iv	116.89 (15)
O1E^viii—Si1E—O1C^vii	109.8 (3)	O4B^xxi—C1A—O2L^iv	107.92 (11)
O1E^viii—Si1E—O2D^vii	107.3 (2)	O4B^xxi—C1A—O2L^xxi	72.08 (11)
O1E^viii—Si1E—O3D^vi	110.6 (3)	O4B^iv—C1A—O2L^iv	72.08 (11)
O1E^viii—Si1E—C1B^ix	172.74 (17)	O4B^iv—C1A—O2L^xxi	107.92 (11)
O1E^viii—Si1E—C1D^x	86.02 (16)	O4B^iv—C1A—O3A^xxiii	89.44 (10)
O2D^vii—Si1E—O3D^vi	110.9 (3)	O4B^xxi—C1A—O3A^xxiii	90.56 (10)
O2D^vii—Si1E—C1B^ix	79.49 (17)	O4B^iv—C1A—O3F^xxii	118.88 (14)
O2D^vii—Si1E—C1D^x	59.6 (2)	O4B^xxi—C1A—O3F	118.87 (14)
O3D^vi—Si1E—C1B^ix	68.37 (18)	O4B^iv—C1A—O3F	61.13 (14)
O3D^vi—Si1E—C1D^x	67.93 (19)	O4B^xxi—C1A—O3F^xxii	61.12 (14)
C1B^ix—Si1E—C1D^x	99.91 (3)	O4B^iv—C1A—O4A^xxiii	40.42 (10)
O1D—Si1F—O2G^xi	108.9 (3)	O4B^iv—C1A—O4A^xvi	139.58 (10)
O1D—Si1F—C1C^xi	80.9 (2)	O4B^xxi—C1A—O4A^xvi	40.42 (10)
O1D—Si1F—C1Dⁱ	174.9 (2)	O4B^xxi—C1A—O4A^xxiii	139.58 (10)
O1G—Si1F—O1D	108.4 (3)	O4B^iv—C1A—O4B^xxi	180.0 (2)
O1G—Si1F—O2G^xi	108.8 (3)	O1C^xiii—C1B—Si3^xi	90.94 (7)
O1G—Si1F—C1C^xi	164.7 (2)	O1C^xxiv—C1B—Si3^xi	89.06 (7)
O1G—Si1F—C1Dⁱ	66.5 (2)	O1C^xxiv—C1B—O1C^xiii	180.0
O2G^xi—Si1F—C1C^xi	56.07 (18)	O1C^xiii—C1B—O2C^xxv	55.88 (10)
O2G^xi—Si1F—C1Dⁱ	72.7 (2)	O1C^xxiv—C1B—O2C^xxv	124.12 (10)
O3Bⁱ—Si1F—O1D	110.0 (3)	O1C^xxiv—C1B—O2C^xi	55.88 (10)
O3Bⁱ—Si1F—O1G	111.1 (3)	O1C^xiii—C1B—O2C^xi	124.12 (10)
O3Bⁱ—Si1F—O2G^xi	109.6 (3)	O1C^xiii—C1B—O3A^xxiv	142.91 (9)
O3Bⁱ—Si1F—C1C^xi	75.4 (3)	O1C^xxiv—C1B—O3A^xxiv	37.09 (9)
O3Bⁱ—Si1F—C1Dⁱ	73.5 (2)	O1C^xxiv—C1B—O3A^xiii	142.91 (9)
C1C^xi—Si1F—C1Dⁱ	103.72 (8)	O1C^xiii—C1B—O3A^xiii	37.09 (9)
O1F^xii—Si1G—C1C^xiv	161.69 (18)	O2A^xiii—C1B—Si3^xi	54.34 (7)
O1F^xii—Si1G—C1D	63.13 (19)	O2A^xxiv—C1B—Si3^xi	125.66 (7)
O1L—Si1G—O1F^xii	109.0 (3)	O2A^xiii—C1B—O1C^xiii	58.33 (11)
O1L—Si1G—C1C^xiv	88.06 (18)	O2A^xxiv—C1B—O1C^xxiv	58.33 (11)
O1L—Si1G—C1D	171.63 (17)	O2A^xxiv—C1B—O1C^xiii	121.67 (11)
O2J^xiii—Si1G—O1F^xii	109.9 (3)	O2A^xiii—C1B—O1C^xxiv	121.67 (11)
O2J^xiii—Si1G—O1L	107.9 (2)	O2A^xxiv—C1B—O2A^xiii	180.0
O2J^xiii—Si1G—O3B	110.9 (3)	O2A^xxiv—C1B—O2C^xi	113.76 (10)
O2J^xiii—Si1G—C1C^xiv	56.5 (2)	O2A^xiii—C1B—O2C^xi	66.24 (10)
O2J^xiii—Si1G—C1D	78.32 (18)	O2A^xiii—C1B—O2C^xxv	113.76 (10)
O3B—Si1G—O1F^xii	109.1 (3)	O2A^xxiv—C1B—O2C^xxv	66.24 (10)
O3B—Si1G—O1L	110.0 (3)	O2A^xiii—C1B—O2L^xiv	90.22 (10)
O3B—Si1G—C1C^xiv	69.5 (3)	O2A^xxiv—C1B—O2L^xiv	89.78 (10)
O3B—Si1G—C1D	71.9 (2)	O2A^xiii—C1B—O2L^xxvi	89.78 (10)
C1C^xiv—Si1G—C1D	100.15 (7)	O2A^xxiv—C1B—O2L^xxvi	90.22 (10)
O1D^xii—Si1H—C1A	174.5 (2)	O2A^xxiv—C1B—O3A^xxiv	59.28 (10)
O1D^xii—Si1H—C1C^iv	74.3 (2)	O2A^xiii—C1B—O3A^xiii	59.28 (10)
O1H—Si1H—O1D^xii	107.2 (3)	O2A^xxiv—C1B—O3A^xiii	120.72 (10)
O1H—Si1H—C1A	77.9 (2)	O2A^xiii—C1B—O3A^xxiv	120.72 (10)
O1H—Si1H—C1C^iv	178.4 (2)	O2A^xxiv—C1B—O4C^xi	126.21 (10)
O2K^iv—Si1H—O1D^xii	110.4 (4)	O2A^xiii—C1B—O4C^xi	53.79 (10)
O2K^iv—Si1H—O1H	108.7 (3)	O2A^xxiv—C1B—O4C^xxv	53.79 (10)
O2K^iv—Si1H—C1A	69.0 (3)	O2A^xiii—C1B—O4C^xxv	126.21 (10)
O2K^iv—Si1H—C1C^iv	71.0 (3)	O2C^xxv—C1B—Si3^xi	119.64 (7)
O3F—Si1H—O1D^xii	110.9 (3)	O2C^xi—C1B—Si3^xi	60.36 (7)
O3F—Si1H—O1H	109.6 (3)	O2C^xi—C1B—O2C^xxv	180.0
O3F—Si1H—O2K^iv	109.9 (3)	O2C^xxv—C1B—O3A^xxiv	106.81 (9)
O3F—Si1H—C1A	64.9 (2)	O2C^xxv—C1B—O3A^xiii	73.19 (9)
O3F—Si1H—C1C^iv	69.2 (2)	O2C^xi—C1B—O3A^xiii	106.81 (9)
C1A—Si1H—C1C^iv	100.55 (4)	O2C^xi—C1B—O3A^xxiv	73.19 (9)
O1J—Si1I—O1L^xv	106.9 (3)	O2L^xiv—C1B—Si3^xi	51.86 (7)
O1J—Si1I—C1Bⁱⁱⁱ	75.9 (2)	O2L^xxvi—C1B—Si3^xi	128.14 (7)
O1J—Si1I—C1C^iv	168.6 (2)	O2L^xiv—C1B—O1C^xiii	142.33 (9)
O1L^xv—Si1I—C1Bⁱⁱⁱ	176.83 (19)	O2L^xiv—C1B—O1C^xxiv	37.67 (9)
O1L^xv—Si1I—C1C^iv	80.30 (16)	O2L^xxvi—C1B—O1C^xxiv	142.33 (9)
O2C^vii—Si1I—O1J	107.6 (3)	O2L^xxvi—C1B—O1C^xiii	37.67 (9)
O2C^vii—Si1I—O1L^xv	110.5 (3)	O2L^xxvi—C1B—O2C^xxv	37.18 (10)
O2C^vii—Si1I—C1Bⁱⁱⁱ	67.0 (2)	O2L^xxvi—C1B—O2C^xi	142.82 (10)
O2C^vii—Si1I—C1C^iv	77.2 (2)	O2L^xiv—C1B—O2C^xxv	142.82 (10)
O3E—Si1I—O1J	109.5 (3)	O2L^xiv—C1B—O2C^xi	37.18 (10)
O3E—Si1I—O1L^xv	110.9 (2)	O2L^xiv—C1B—O2L^xxvi	180.0
O3E—Si1I—O2C^vii	111.4 (3)	O2L^xiv—C1B—O3A^xiii	143.18 (9)
O3E—Si1I—C1Bⁱⁱⁱ	69.13 (19)	O2L^xxvi—C1B—O3A^xxiv	143.18 (9)
O3E—Si1I—C1C^iv	59.2 (2)	O2L^xxvi—C1B—O3A^xiii	36.82 (9)
C1Bⁱⁱⁱ—Si1I—C1C^iv	97.18 (4)	O2L^xiv—C1B—O3A^xxiv	36.82 (9)
O1I—Si1J—C1Aⁱ	173.31 (19)	O3A^xiii—C1B—Si3^xi	111.37 (7)
O1I—Si1J—C1Bⁱⁱⁱ	77.42 (17)	O3A^xxiv—C1B—Si3^xi	68.63 (7)
O1Mⁱ—Si1J—O1I	105.7 (2)	O3A^xxiv—C1B—O3A^xiii	180.00 (7)
O1Mⁱ—Si1J—O2H	108.5 (3)	O4A^xiii—C1B—Si3^xi	157.37 (7)
O1Mⁱ—Si1J—C1Aⁱ	80.24 (17)	O4A^xxiv—C1B—Si3^xi	22.63 (7)
O1Mⁱ—Si1J—C1Bⁱⁱⁱ	176.02 (19)	O4A^xiii—C1B—O1C^xiii	83.48 (9)
O2H—Si1J—O1I	108.1 (3)	O4A^xiii—C1B—O1C^xxiv	96.52 (9)
O2H—Si1J—C1Aⁱ	72.21 (19)	O4A^xxiv—C1B—O1C^xiii	96.52 (9)
O2H—Si1J—C1Bⁱⁱⁱ	72.46 (19)	O4A^xxiv—C1B—O1C^xxiv	83.48 (9)
O3A—Si1J—O1I	111.9 (3)	O4A^xiii—C1B—O2A^xxiv	75.06 (10)
O3A—Si1J—O1Mⁱ	111.6 (3)	O4A^xxiv—C1B—O2A^xxiv	104.94 (10)
O3A—Si1J—O2H	110.9 (3)	O4A^xiii—C1B—O2A^xiii	104.94 (10)
O3A—Si1J—C1Aⁱ	62.40 (18)	O4A^xxiv—C1B—O2A^xiii	75.06 (10)
O3A—Si1J—C1Bⁱⁱⁱ	64.68 (17)	O4A^xiii—C1B—O2C^xi	105.15 (10)
C1Bⁱⁱⁱ—Si1J—C1Aⁱ	96.51 (2)	O4A^xiii—C1B—O2C^xxv	74.85 (10)
O1G—Si1K—C1Bⁱⁱⁱ	174.27 (19)	O4A^xxiv—C1B—O2C^xi	74.85 (10)
O1G—Si1K—C1Dⁱ	73.7 (2)	O4A^xxiv—C1B—O2C^xxv	105.15 (10)
O1J—Si1K—O1G	109.2 (3)	O4A^xiii—C1B—O2L^xxvi	52.12 (10)
O1J—Si1K—O2I	109.4 (3)	O4A^xiii—C1B—O2L^xiv	127.88 (10)
O1J—Si1K—C1Bⁱⁱⁱ	74.5 (2)	O4A^xxiv—C1B—O2L^xxvi	127.88 (10)
O1J—Si1K—C1Dⁱ	167.47 (19)	O4A^xxiv—C1B—O2L^xiv	52.12 (10)
O2I—Si1K—O1G	107.8 (3)	O4A^xxiv—C1B—O3A^xxiv	53.37 (10)
O2I—Si1K—C1Bⁱⁱⁱ	74.3 (2)	O4A^xiii—C1B—O3A^xxiv	126.63 (10)
O2I—Si1K—C1Dⁱ	58.57 (16)	O4A^xiii—C1B—O3A^xiii	53.37 (10)
O3D—Si1K—O1G	108.2 (3)	O4A^xxiv—C1B—O3A^xiii	126.63 (10)
O3D—Si1K—O1J	111.6 (3)	O4A^xxiv—C1B—O4A^xiii	180.0
O3D—Si1K—O2I	110.5 (3)	O4A^xxiv—C1B—O4C^xxv	139.80 (10)
O3D—Si1K—C1Bⁱⁱⁱ	66.10 (18)	O4A^xiii—C1B—O4C^xxv	40.20 (10)
O3D—Si1K—C1Dⁱ	78.05 (18)	O4A^xxiv—C1B—O4C^xi	40.20 (10)
C1Dⁱ—Si1K—C1Bⁱⁱⁱ	103.58 (3)	O4A^xiii—C1B—O4C^xi	139.80 (10)
O1F^xii—Si1L—O1H	109.1 (3)	O4C^xxv—C1B—Si3^xi	157.27 (7)
O1F^xii—Si1L—O2F	110.4 (3)	O4C^xi—C1B—Si3^xi	22.73 (7)
O1F^xii—Si1L—O3C^iv	109.5 (3)	O4C^xi—C1B—O1C^xiii	105.00 (9)
O1F^xii—Si1L—C1A	168.9 (2)	O4C^xi—C1B—O1C^xxiv	75.00 (9)
O1F^xii—Si1L—C1D	66.95 (19)	O4C^xxv—C1B—O1C^xiii	75.00 (9)
O1H—Si1L—O2F	109.4 (3)	O4C^xxv—C1B—O1C^xxiv	105.00 (9)
O1H—Si1L—O3C^iv	110.3 (3)	O4C^xi—C1B—O2C^xi	37.64 (10)
O1H—Si1L—C1A	79.4 (2)	O4C^xxv—C1B—O2C^xxv	37.64 (10)
O1H—Si1L—C1D	169.2 (2)	O4C^xi—C1B—O2C^xxv	142.36 (10)
O2F—Si1L—O3C^iv	108.2 (3)	O4C^xxv—C1B—O2C^xi	142.36 (10)
O2F—Si1L—C1A	59.1 (2)	O4C^xi—C1B—O2L^xiv	38.13 (8)
O2F—Si1L—C1D	64.54 (18)	O4C^xxv—C1B—O2L^xiv	141.87 (8)
O3C^iv—Si1L—C1A	72.94 (18)	O4C^xxv—C1B—O2L^xxvi	38.13 (8)
O3C^iv—Si1L—C1D	80.42 (18)	O4C^xi—C1B—O2L^xxvi	141.87 (8)
C1D—Si1L—C1A	103.38 (3)	O4C^xxv—C1B—O3A^xxiv	112.47 (9)
O2C—Si2A—C1A^x	168.48 (17)	O4C^xi—C1B—O3A^xxiv	67.53 (9)
O2C—Si2A—C1B^ix	73.8 (2)	O4C^xi—C1B—O3A^xiii	112.47 (9)
O2C—Si2A—C1Cⁱ	87.8 (2)	O4C^xxv—C1B—O3A^xiii	67.53 (9)
O2Kⁱ—Si2A—O2C	109.7 (4)	O4C^xi—C1B—O4C^xxv	180.00 (13)
O2Kⁱ—Si2A—O2Lⁱ	107.4 (3)	O1A^iv—C1C—O2A^iv	141.62 (12)
O2Kⁱ—Si2A—O4C	111.3 (3)	O1A^iv—C1C—O2A^xxvii	141.62 (12)
O2Kⁱ—Si2A—C1A^x	71.2 (3)	O1A^iv—C1C—O3E^xxvii	141.50 (11)
O2Kⁱ—Si2A—C1B^ix	176.5 (3)	O1A^iv—C1C—O3E^iv	141.50 (11)
O2Kⁱ—Si2A—C1Cⁱ	74.7 (3)	O1A^iv—C1C—O3F^iv	37.56 (12)
O2Lⁱ—Si2A—O2C	109.2 (3)	O1A^iv—C1C—O4D^xvi	105.52 (17)
O2Lⁱ—Si2A—O4C	110.1 (3)	O1A^iv—C1C—O4D^xxix	105.52 (17)
O2Lⁱ—Si2A—C1A^x	60.4 (2)	O1B^iv—C1C—O1A^iv	180.0
O2Lⁱ—Si2A—C1B^ix	71.4 (2)	O1B^iv—C1C—O2A^iv	38.38 (12)
O2Lⁱ—Si2A—C1Cⁱ	160.2 (2)	O1B^iv—C1C—O2A^xxvii	38.38 (12)
O4C—Si2A—O2C	109.1 (3)	O1B^iv—C1C—O2J^iv	56.30 (16)
O4C—Si2A—C1A^x	80.5 (2)	O1B^iv—C1C—O2J^xxvii	56.30 (16)
O4C—Si2A—C1B^ix	66.5 (2)	O1B^iv—C1C—O3E^xxvii	38.50 (11)
O4C—Si2A—C1Cⁱ	52.86 (18)	O1B^iv—C1C—O3E^iv	38.50 (11)
C1A^x—Si2A—C1Cⁱ	103.32 (13)	O1B^iv—C1C—O3F^iv	142.44 (12)
C1B^ix—Si2A—C1A^x	105.46 (3)	O1B^iv—C1C—O4D^xvi	74.48 (17)
C1B^ix—Si2A—C1Cⁱ	105.30 (13)	O1B^iv—C1C—O4D^xxix	74.48 (17)
O2A—Si2B—O2J	110.3 (2)	O2A^xxvii—C1C—O2A^iv	76.8 (2)
O2A—Si2B—C1Bⁱⁱⁱ	57.58 (16)	O2A^xxvii—C1C—O3F^iv	146.09 (9)
O2A—Si2B—C1C^iv	75.3 (2)	O2A^iv—C1C—O3F^iv	114.38 (10)
O2A—Si2B—C1Dⁱⁱⁱ	162.14 (16)	O2G—C1C—O1A^iv	60.03 (18)
O2D—Si2B—O2A	111.4 (3)	O2G^xxviii—C1C—O1A^iv	60.03 (18)
O2D—Si2B—O2J	108.9 (3)	O2G^xxviii—C1C—O1B^iv	119.97 (18)
O2D—Si2B—C1Bⁱⁱⁱ	82.47 (17)	O2G—C1C—O1B^iv	119.97 (18)
O2D—Si2B—C1C^iv	171.63 (18)	O2G—C1C—O2A^xxvii	142.44 (17)
O2D—Si2B—C1Dⁱⁱⁱ	68.1 (2)	O2G^xxviii—C1C—O2A^iv	142.44 (17)
O2J—Si2B—C1Bⁱⁱⁱ	166.53 (18)	O2G^xxviii—C1C—O2A^xxvii	89.45 (12)
O2J—Si2B—C1C^iv	63.29 (18)	O2G—C1C—O2A^iv	89.45 (12)
O2J—Si2B—C1Dⁱⁱⁱ	85.96 (18)	O2G—C1C—O2G^xxviii	120.1 (4)
O4D^vii—Si2B—O2A	110.4 (2)	O2G^xxviii—C1C—O2J^iv	174.4 (2)
O4D^vii—Si2B—O2D	107.5 (3)	O2G—C1C—O2J^iv	63.84 (12)
O4D^vii—Si2B—O2J	108.3 (3)	O2G—C1C—O2J^xxvii	174.4 (2)
O4D^vii—Si2B—C1Bⁱⁱⁱ	73.8 (2)	O2G^xxviii—C1C—O2J^xxvii	63.84 (12)
O4D^vii—Si2B—C1C^iv	73.6 (3)	O2G—C1C—O3E^iv	120.67 (14)
O4D^vii—Si2B—C1Dⁱⁱⁱ	55.38 (18)	O2G^xxviii—C1C—O3E^iv	105.77 (12)
C1C^iv—Si2B—C1Bⁱⁱⁱ	105.67 (3)	O2G^xxviii—C1C—O3E^xxvii	120.67 (14)
C1Dⁱⁱⁱ—Si2B—C1Bⁱⁱⁱ	105.43 (3)	O2G—C1C—O3E^xxvii	105.77 (12)
C1Dⁱⁱⁱ—Si2B—C1C^iv	107.16 (12)	O2G—C1C—O3F^iv	71.38 (19)
O2B—Si2C—O2E	109.3 (3)	O2G^xxviii—C1C—O3F^iv	61.80 (18)
O2B—Si2C—O2G	111.4 (3)	O2G^xxviii—C1C—O4C^xvi	109.72 (15)
O2B—Si2C—O4B	106.9 (3)	O2G—C1C—O4C^xxix	109.72 (15)
O2B—Si2C—C1A^vi	67.42 (19)	O2G—C1C—O4C^xvi	75.28 (12)
O2B—Si2C—C1C	83.9 (2)	O2G^xxviii—C1C—O4C^xxix	75.28 (12)
O2B—Si2C—C1D^vi	170.7 (2)	O2G^xxviii—C1C—O4D^xvi	147.36 (16)
O2E—Si2C—C1A^vi	86.56 (17)	O2G^xxviii—C1C—O4D^xxix	54.92 (12)
O2E—Si2C—C1C	164.11 (17)	O2G—C1C—O4D^xxix	147.36 (16)
O2E—Si2C—C1D^vi	62.20 (18)	O2G—C1C—O4D^xvi	54.92 (12)
O2G—Si2C—O2E	110.4 (2)	O2J^xxvii—C1C—O1A^iv	123.70 (16)
O2G—Si2C—O4B	110.8 (3)	O2J^iv—C1C—O1A^iv	123.70 (16)
O2G—Si2C—C1A^vi	161.59 (17)	O2J^iv—C1C—O2A^xxvii	85.4 (2)
O2G—Si2C—C1C	55.07 (17)	O2J^xxvii—C1C—O2A^xxvii	37.88 (11)
O2G—Si2C—C1D^vi	76.2 (2)	O2J^xxvii—C1C—O2A^iv	85.4 (2)
O4B—Si2C—O2E	108.0 (3)	O2J^iv—C1C—O2A^iv	37.88 (11)
O4B—Si2C—C1A^vi	54.89 (19)	O2J^xxvii—C1C—O2J^iv	112.6 (3)
O4B—Si2C—C1C	75.2 (3)	O2J^xxvii—C1C—O3E^iv	53.73 (15)
O4B—Si2C—C1D^vi	74.0 (3)	O2J^iv—C1C—O3E^iv	73.92 (19)
C1A^vi—Si2C—C1C	107.20 (3)	O2J^iv—C1C—O3E^xxvii	53.73 (15)
C1A^vi—Si2C—C1D^vi	107.10 (3)	O2J^xxvii—C1C—O3E^xxvii	73.92 (19)
C1C—Si2C—C1D^vi	105.12 (12)	O2J^xxvii—C1C—O3F^iv	108.88 (11)
O2F—Si2D—O4A^xvi	107.9 (3)	O2J^iv—C1C—O3F^iv	123.79 (14)
O2F—Si2D—C1A	62.1 (2)	O2J^iv—C1C—O4D^xvi	37.82 (10)
O2F—Si2D—C1B^xvii	161.4 (2)	O2J^xxvii—C1C—O4D^xxix	37.82 (10)
O2F—Si2D—C1D	68.10 (18)	O2J^iv—C1C—O4D^xxix	119.5 (3)
O2H^xvi—Si2D—O2F	111.3 (3)	O2J^xxvii—C1C—O4D^xvi	119.5 (3)
O2H^xvi—Si2D—O4A^xvi	108.1 (3)	O3E^iv—C1C—O2A^xxvii	64.78 (18)
O2H^xvi—Si2D—C1A	84.76 (19)	O3E^xxvii—C1C—O2A^iv	64.78 (18)
O2H^xvi—Si2D—C1B^xvii	79.2 (2)	O3E^iv—C1C—O2A^iv	36.78 (12)
O2H^xvi—Si2D—C1D	165.2 (2)	O3E^xxvii—C1C—O2A^xxvii	36.78 (12)
O2I^xvi—Si2D—O2F	108.4 (3)	O3E^iv—C1C—O3E^xxvii	77.0 (2)
O2I^xvi—Si2D—O2H^xvi	111.5 (3)	O3E^xxvii—C1C—O3F^iv	177.12 (12)
O2I^xvi—Si2D—O4A^xvi	109.5 (3)	O3E^iv—C1C—O3F^iv	104.00 (9)
O2I^xvi—Si2D—C1A	163.65 (18)	O3E^xxvii—C1C—O4D^xvi	89.29 (19)
O2I^xvi—Si2D—C1B^xvii	80.3 (2)	O3E^iv—C1C—O4D^xxix	89.29 (19)
O2I^xvi—Si2D—C1D	56.95 (17)	O3E^iv—C1C—O4D^xvi	66.02 (15)
O4A^xvi—Si2D—C1A	64.60 (18)	O3E^xxvii—C1C—O4D^xxix	66.02 (15)
O4A^xvi—Si2D—C1B^xvii	53.50 (17)	O4C^xvi—C1C—O1A^iv	94.8 (2)
O4A^xvi—Si2D—C1D	85.52 (16)	O4C^xxix—C1C—O1A^iv	94.8 (2)
C1A—Si2D—C1B^xvii	105.29 (3)	O4C^xxix—C1C—O1B^iv	85.2 (2)
C1D—Si2D—C1A	106.75 (3)	O4C^xvi—C1C—O1B^iv	85.2 (2)
C1D—Si2D—C1B^xvii	105.82 (3)	O4C^xxix—C1C—O2A^xxvii	52.36 (14)
O4A^vi—Si3—C1A^x	68.56 (18)	O4C^xxix—C1C—O2A^iv	118.7 (3)
O4A^vi—Si3—C1B^ix	60.34 (17)	O4C^xvi—C1C—O2A^xxvii	118.7 (3)
O4A^vi—Si3—C1Cⁱ	167.63 (17)	O4C^xvi—C1C—O2A^iv	52.36 (14)
O4A^vi—Si3—C1D^x	84.13 (16)	O4C^xvi—C1C—O2J^xxvii	99.79 (17)
O4Bⁱ—Si3—O4A^vi	108.3 (3)	O4C^xxix—C1C—O2J^xxvii	74.78 (13)
O4Bⁱ—Si3—O4C	109.3 (4)	O4C^xvi—C1C—O2J^iv	74.78 (13)
O4Bⁱ—Si3—O4D	110.5 (3)	O4C^xxix—C1C—O2J^iv	99.79 (17)
O4Bⁱ—Si3—C1A^x	55.75 (19)	O4C^xxix—C1C—O3E^xxvii	54.08 (15)
O4Bⁱ—Si3—C1B^ix	166.59 (19)	O4C^xvi—C1C—O3E^xxvii	117.1 (3)
O4Bⁱ—Si3—C1Cⁱ	79.0 (3)	O4C^xvi—C1C—O3E^iv	54.08 (15)
O4Bⁱ—Si3—C1D^x	75.2 (3)	O4C^xxix—C1C—O3E^iv	117.1 (3)
O4C—Si3—O4A^vi	108.6 (2)	O4C^xxix—C1C—O3F^iv	126.9 (3)
O4C—Si3—O4D	110.3 (3)	O4C^xvi—C1C—O3F^iv	62.07 (15)
O4C—Si3—C1A^x	86.75 (19)	O4C^xxix—C1C—O4C^xvi	170.4 (4)
O4C—Si3—C1B^ix	70.7 (2)	O4C^xxix—C1C—O4D^xvi	137.23 (18)
O4C—Si3—C1Cⁱ	59.09 (17)	O4C^xvi—C1C—O4D^xxix	137.23 (18)
O4C—Si3—C1D^x	163.41 (16)	O4C^xvi—C1C—O4D^xvi	38.86 (10)
O4D—Si3—O4A^vi	109.7 (3)	O4C^xxix—C1C—O4D^xxix	38.86 (10)
O4D—Si3—C1A^x	161.8 (2)	O4D^xvi—C1C—O2A^xxvii	112.3 (3)
O4D—Si3—C1B^ix	81.3 (2)	O4D^xvi—C1C—O2A^iv	36.95 (11)
O4D—Si3—C1Cⁱ	75.8 (3)	O4D^xxix—C1C—O2A^xxvii	36.95 (11)
O4D—Si3—C1D^x	54.05 (19)	O4D^xxix—C1C—O2A^iv	112.3 (3)
C1A^x—Si3—C1Cⁱ	109.83 (15)	O4D^xxix—C1C—O3F^iv	116.56 (18)
C1A^x—Si3—C1D^x	108.23 (3)	O4D^xvi—C1C—O3F^iv	88.68 (14)
C1B^ix—Si3—C1A^x	111.28 (3)	O4D^xxix—C1C—O4D^xvi	149.0 (3)
C1B^ix—Si3—C1Cⁱ	110.93 (15)	O1F^xxx—C1D—O1F^xii	180.0
C1B^ix—Si3—C1D^x	108.78 (3)	O1F^xxx—C1D—O1G^xxiv	65.23 (11)
C1Cⁱ—Si3—C1D^x	107.67 (3)	O1F^xii—C1D—O1G^xvi	65.23 (11)
Si1B—O1A—Si1B^xviii	163.6 (5)	O1F^xxx—C1D—O1G^xvi	114.77 (11)
Si1B^xviii—O1A—C1C^iv	98.2 (2)	O1F^xii—C1D—O1G^xxiv	114.77 (11)
Si1B—O1A—C1C^iv	98.2 (2)	O1F^xxx—C1D—O4B^xiv	84.36 (10)
Si1C^xviii—O1B—Si1C	169.2 (5)	O1F^xii—C1D—O4B^xiv	95.64 (10)
Si1C—O1B—C1C^iv	95.4 (2)	O1G^xxiv—C1D—O1G^xvi	180.00 (13)
Si1C^xviii—O1B—C1C^iv	95.4 (2)	O1G^xvi—C1D—O4B^xiv	71.20 (9)
Si1A—O1C—Si1E^vii	173.8 (5)	O1G^xxiv—C1D—O4B^xiv	108.80 (9)
Si1A—O1C—C1Bⁱⁱⁱ	89.3 (2)	O2D^xxii—C1D—O1F^xii	126.17 (10)
Si1E^vii—O1C—C1Bⁱⁱⁱ	94.4 (2)	O2D^xxii—C1D—O1F^xxx	53.83 (10)
Si1F—O1D—C1C^xi	77.8 (2)	O2D^xiii—C1D—O1F^xxx	126.17 (10)
Si1H^xv—O1D—Si1F	162.3 (4)	O2D^xiii—C1D—O1F^xii	53.83 (10)
Si1H^xv—O1D—C1C^xi	85.0 (2)	O2D^xxii—C1D—O1G^xxiv	106.48 (10)
Si1E^viii—O1E—Si1D	149.7 (3)	O2D^xxii—C1D—O1G^xvi	73.52 (10)
Si1G^xv—O1F—C1D^xv	96.05 (19)	O2D^xiii—C1D—O1G^xvi	106.48 (10)
Si1L^xv—O1F—Si1G^xv	171.4 (4)	O2D^xiii—C1D—O1G^xxiv	73.52 (10)
Si1L^xv—O1F—C1D^xv	91.7 (2)	O2D^xxii—C1D—O2D^xiii	180.0
Si1F—O1G—Si1K	162.1 (4)	O2D^xxii—C1D—O4B^xiv	102.41 (10)
Si1F—O1G—C1Dⁱ	92.3 (2)	O2D^xiii—C1D—O4B^xiv	77.59 (10)
Si1K—O1G—C1Dⁱ	84.1 (2)	O2E^xxi—C1D—O1F^xii	72.09 (10)
Si1H—O1H—Si1L	159.3 (4)	O2E^xxi—C1D—O1F^xxx	107.91 (10)
Si1H—O1H—C1A	81.2 (2)	O2E^xiv—C1D—O1F^xxx	72.09 (10)
Si1L—O1H—C1A	79.7 (2)	O2E^xiv—C1D—O1F^xii	107.91 (10)
Si1C—O1I—Si1J	158.6 (3)	O2E^xxi—C1D—O1G^xvi	128.10 (10)
Si1C—O1I—C1Bⁱⁱⁱ	76.71 (17)	O2E^xiv—C1D—O1G^xvi	51.90 (10)
Si1J—O1I—C1Bⁱⁱⁱ	81.93 (17)	O2E^xxi—C1D—O1G^xxiv	51.90 (10)
Si1I—O1J—C1Bⁱⁱⁱ	83.2 (2)	O2E^xiv—C1D—O1G^xxiv	128.10 (10)
Si1K—O1J—Si1I	157.9 (4)	O2E^xiv—C1D—O2D^xxii	66.76 (10)
Si1K—O1J—C1Bⁱⁱⁱ	85.0 (2)	O2E^xiv—C1D—O2D^xiii	113.24 (10)
Si1A^xvi—O1K—Si1D^iv	164.4 (4)	O2E^xxi—C1D—O2D^xxii	113.24 (10)
Si1A^xvi—O1K—C1A	83.36 (18)	O2E^xxi—C1D—O2D^xiii	66.76 (10)
Si1D^iv—O1K—C1A	90.3 (2)	O2E^xiv—C1D—O2E^xxi	180.0
Si1G—O1L—Si1I^xii	151.5 (3)	O2E^xxi—C1D—O2F	58.21 (11)
Si1B—O1M—Si1J^xvi	151.2 (3)	O2E^xiv—C1D—O2F^xxxi	58.21 (11)
Si1B—O1M—C1A	71.56 (16)	O2E^xiv—C1D—O2F	121.79 (11)
Si1J^xvi—O1M—C1A	79.85 (17)	O2E^xxi—C1D—O2F^xxxi	121.79 (11)
Si1C—O2A—C1Bⁱⁱⁱ	102.35 (16)	O2E^xxi—C1D—O4B^xiv	142.81 (10)
Si1C—O2A—C1C^iv	82.5 (2)	O2E^xiv—C1D—O4B^xiv	37.19 (10)
Si2B—O2A—Si1C	156.0 (3)	O2F^xxxi—C1D—O1F^xxx	38.31 (10)
Si2B—O2A—C1Bⁱⁱⁱ	101.48 (19)	O2F—C1D—O1F^xxx	141.70 (10)
Si2B—O2A—C1C^iv	82.94 (19)	O2F^xxxi—C1D—O1F^xii	141.69 (10)
C1Bⁱⁱⁱ—O2A—C1C^iv	120.52 (13)	O2F—C1D—O1F^xii	38.30 (10)
Si1B^iv—O2B—C1A^vi	99.1 (2)	O2F—C1D—O1G^xxiv	110.01 (11)
Si1B^iv—O2B—C1C	78.3 (2)	O2F^xxxi—C1D—O1G^xxiv	69.98 (11)
Si2C—O2B—Si1B^iv	153.5 (4)	O2F—C1D—O1G^xvi	69.99 (11)
Si2C—O2B—C1A^vi	90.3 (2)	O2F^xxxi—C1D—O1G^xvi	110.02 (11)
Si2C—O2B—C1C	75.2 (2)	O2F—C1D—O2D^xxii	96.29 (10)
C1A^vi—O2B—C1C	110.85 (15)	O2F^xxxi—C1D—O2D^xiii	96.29 (10)
Si1I^vii—O2C—Si2A	153.0 (3)	O2F—C1D—O2D^xiii	83.71 (10)
Si1I^vii—O2C—C1B^ix	92.2 (2)	O2F^xxxi—C1D—O2D^xxii	83.71 (10)
Si1I^vii—O2C—C1Cⁱ	83.1 (2)	O2F—C1D—O2F^xxxi	180.0
Si2A—O2C—C1B^ix	84.2 (2)	O2F^xxxi—C1D—O4B^xiv	50.52 (11)
Si2A—O2C—C1Cⁱ	71.8 (2)	O2F—C1D—O4B^xiv	129.48 (11)
C1B^ix—O2C—C1Cⁱ	103.82 (12)	O2I^xvi—C1D—O1F^xii	59.78 (12)
Si1E^vii—O2D—C1Bⁱⁱⁱ	79.80 (17)	O2I^xvi—C1D—O1F^xxx	120.22 (12)
Si1E^vii—O2D—C1Dⁱⁱⁱ	100.1 (2)	O2I^xxiv—C1D—O1F^xii	120.22 (12)
Si2B—O2D—Si1E^vii	156.4 (3)	O2I^xxiv—C1D—O1F^xxx	59.78 (12)
Si2B—O2D—C1Bⁱⁱⁱ	76.70 (17)	O2I^xvi—C1D—O1G^xxiv	141.28 (10)
Si2B—O2D—C1Dⁱⁱⁱ	90.0 (2)	O2I^xxiv—C1D—O1G^xvi	141.28 (10)
C1Dⁱⁱⁱ—O2D—C1Bⁱⁱⁱ	109.47 (13)	O2I^xxiv—C1D—O1G^xxiv	38.72 (10)
Si1D—O2E—Si2C	151.9 (3)	O2I^xvi—C1D—O1G^xvi	38.72 (10)
Si1D—O2E—C1A^vi	83.45 (16)	O2I^xvi—C1D—O2D^xiii	113.60 (13)
Si1D—O2E—C1D^vi	105.9 (2)	O2I^xxiv—C1D—O2D^xxii	113.60 (13)
Si2C—O2E—C1A^vi	72.23 (16)	O2I^xxiv—C1D—O2D^xiii	66.40 (13)
Si2C—O2E—C1D^vi	96.3 (2)	O2I^xvi—C1D—O2D^xxii	66.40 (13)
C1D^vi—O2E—C1A^vi	112.26 (13)	O2I^xvi—C1D—O2E^xiv	85.72 (10)
Si1L—O2F—C1A	99.8 (2)	O2I^xxiv—C1D—O2E^xiv	94.28 (10)
Si1L—O2F—C1D	94.05 (19)	O2I^xvi—C1D—O2E^xxi	94.28 (10)
Si2D—O2F—Si1L	157.5 (4)	O2I^xxiv—C1D—O2E^xxi	85.72 (10)
Si2D—O2F—C1A	96.2 (2)	O2I^xvi—C1D—O2F^xxxi	140.60 (11)
Si2D—O2F—C1D	89.9 (2)	O2I^xvi—C1D—O2F	39.40 (11)
C1A—O2F—C1D	124.15 (15)	O2I^xxiv—C1D—O2F^xxxi	39.40 (11)
Si1F^xi—O2G—C1C	102.3 (2)	O2I^xxiv—C1D—O2F	140.60 (11)
Si1F^xi—O2G—C1D^vi	86.0 (2)	O2I^xxiv—C1D—O2I^xvi	180.00 (11)
Si2C—O2G—Si1F^xi	153.4 (3)	O2I^xvi—C1D—O4B^xiv	109.88 (10)
Si2C—O2G—C1C	104.13 (19)	O2I^xxiv—C1D—O4B^xiv	70.12 (10)
Si2C—O2G—C1D^vi	82.6 (2)	O4D^xxxii—C1D—O1F^xxx	71.16 (10)
C1C—O2G—C1D^vi	120.7 (2)	O4D^xi—C1D—O1F^xxx	108.84 (10)
Si1J—O2H—C1Aⁱ	87.6 (2)	O4D^xxxii—C1D—O1F^xii	108.84 (10)
Si1J—O2H—C1Bⁱⁱⁱ	86.8 (2)	O4D^xi—C1D—O1F^xii	71.16 (10)
Si2Dⁱ—O2H—Si1J	154.2 (4)	O4D^xxxii—C1D—O1G^xxiv	87.34 (13)
Si2Dⁱ—O2H—C1Aⁱ	74.32 (19)	O4D^xi—C1D—O1G^xvi	87.34 (13)
Si2Dⁱ—O2H—C1Bⁱⁱⁱ	79.7 (2)	O4D^xxxii—C1D—O1G^xvi	92.66 (13)
C1Bⁱⁱⁱ—O2H—C1Aⁱ	102.91 (11)	O4D^xi—C1D—O1G^xxiv	92.66 (13)
Si1K—O2I—C1Bⁱⁱⁱ	85.0 (2)	O4D^xi—C1D—O2D^xiii	39.49 (11)
Si1K—O2I—C1Dⁱ	99.43 (18)	O4D^xxxii—C1D—O2D^xiii	140.51 (11)
Si2Dⁱ—O2I—Si1K	157.6 (3)	O4D^xxxii—C1D—O2D^xxii	39.49 (11)
Si2Dⁱ—O2I—C1Bⁱⁱⁱ	78.8 (2)	O4D^xi—C1D—O2D^xxii	140.51 (11)
Si2Dⁱ—O2I—C1Dⁱ	101.7 (2)	O4D^xxxii—C1D—O2E^xxi	74.19 (11)
C1Dⁱ—O2I—C1Bⁱⁱⁱ	117.63 (16)	O4D^xi—C1D—O2E^xiv	74.19 (11)
Si1Gⁱⁱⁱ—O2J—Si2B	152.6 (3)	O4D^xi—C1D—O2E^xxi	105.81 (11)
Si1Gⁱⁱⁱ—O2J—C1C^iv	103.0 (2)	O4D^xxxii—C1D—O2E^xiv	105.81 (11)
Si1Gⁱⁱⁱ—O2J—C1Dⁱⁱⁱ	80.95 (18)	O4D^xxxii—C1D—O2F	70.65 (10)
Si2B—O2J—C1C^iv	94.9 (2)	O4D^xi—C1D—O2F^xxxi	70.65 (10)
Si2B—O2J—C1Dⁱⁱⁱ	73.14 (18)	O4D^xxxii—C1D—O2F^xxxi	109.35 (10)
C1C^iv—O2J—C1Dⁱⁱⁱ	111.99 (18)	O4D^xi—C1D—O2F	109.35 (10)
Si1H^iv—O2K—C1A^vi	89.9 (3)	O4D^xxxii—C1D—O2I^xxiv	117.29 (14)
Si1H^iv—O2K—C1C	88.3 (3)	O4D^xi—C1D—O2I^xxiv	62.71 (14)
Si2A^xvi—O2K—Si1H^iv	171.1 (4)	O4D^xi—C1D—O2I^xvi	117.29 (14)
Si2A^xvi—O2K—C1A^vi	87.6 (3)	O4D^xxxii—C1D—O2I^xvi	62.71 (14)
Si2A^xvi—O2K—C1C	84.4 (3)	O4D^xi—C1D—O4B^xiv	38.12 (11)
C1A^vi—O2K—C1C	109.84 (16)	O4D^xxxii—C1D—O4B^xiv	141.88 (11)
Si1A^xix—O2L—C1A^vi	97.3 (2)	O4D^xi—C1D—O4D^xxxii	180.0
Si1A^xix—O2L—C1B^xx	88.7 (2)	C2D^xxvii—C2A—C2F^vii	96 (2)
Si2A^xvi—O2L—Si1A^xix	163.8 (4)	C2D^xxvii—C2A—C2G^xi	46 (2)
Si2A^xvi—O2L—C1A^vi	98.4 (2)	C2D^xxvii—C2A—C2K	96 (3)
Si2A^xvi—O2L—C1B^xx	86.7 (2)	C2E^iv—C2A—C2D^xxvii	110 (3)
C1A^vi—O2L—C1B^xx	121.09 (13)	C2E^iv—C2A—C2F^vii	15.8 (18)
Si1A—O3A—C1Aⁱ	84.83 (18)	C2E^iv—C2A—C2G^xi	122 (3)
Si1A—O3A—C1Bⁱⁱⁱ	86.08 (17)	C2E^iv—C2A—C2K	64 (3)
Si1J—O3A—Si1A	176.7 (4)	C2G^xi—C2A—C2F^vii	107 (2)
Si1J—O3A—C1Aⁱ	97.8 (2)	C2G^xi—C2A—C2K	68 (3)
Si1J—O3A—C1Bⁱⁱⁱ	94.83 (18)	C2K—C2A—C2F^vii	56 (2)
C1Bⁱⁱⁱ—O3A—C1Aⁱ	111.87 (11)	C2C^xxxiii—C2B—C2E^xxxiv	112 (3)
Si1F^xvi—O3B—Si1G	167.6 (4)	C2C^xxxiii—C2B—C2J	41 (2)
Si1F^xvi—O3B—C1C^xiv	83.0 (3)	C2F^xviii—C2B—C2C^xxxiii	120 (4)
Si1F^xvi—O3B—C1D	85.5 (2)	C2F^xviii—C2B—C2E^xxxiv	19 (3)
Si1G—O3B—C1C^xiv	89.7 (3)	C2F^xviii—C2B—C2J	130 (4)
Si1G—O3B—C1D	87.4 (2)	C2J—C2B—C2E^xxxiv	112 (3)
C1C^xiv—O3B—C1D	108.63 (11)	C2B^xxxv—C2C—C2F^xxxvi	24.2 (18)
Si1D^v—O3C—Si1L^iv	162.0 (4)	C2B^xxxv—C2C—C2I^xxxvii	104 (3)
Si1D^v—O3C—C1A^vi	90.8 (2)	C2B^xxxv—C2C—C2K^xvii	84 (3)
Si1D^v—O3C—C1D^ix	85.73 (19)	C2B^xxxv—C2C—C2L^xvii	105 (3)
Si1L^iv—O3C—C1A^vi	85.56 (17)	C2F^xxxvi—C2C—C2L^xvii	81 (3)
Si1L^iv—O3C—C1D^ix	78.42 (19)	C2I^xxxvii—C2C—C2F^xxxvi	100 (2)
C1A^vi—O3C—C1D^ix	105.95 (11)	C2I^xxxvii—C2C—C2K^xvii	84 (3)
Si1E^xxi—O3D—C1Bⁱⁱⁱ	90.7 (2)	C2I^xxxvii—C2C—C2L^xvii	72 (3)
Si1E^xxi—O3D—C1Dⁱ	91.5 (2)	C2J^xxxv—C2C—C2B^xxxv	86 (4)
Si1K—O3D—Si1E^xxi	171.5 (4)	C2J^xxxv—C2C—C2F^xxxvi	97 (4)
Si1K—O3D—C1Bⁱⁱⁱ	93.21 (18)	C2J^xxxv—C2C—C2I^xxxvii	40 (3)
Si1K—O3D—C1Dⁱ	80.04 (19)	C2J^xxxv—C2C—C2K^xvii	118 (4)
C1Bⁱⁱⁱ—O3D—C1Dⁱ	111.10 (13)	C2J^xxxv—C2C—C2L^xvii	112 (4)
Si1C—O3E—C1Bⁱⁱⁱ	86.66 (19)	C2K^xvii—C2C—C2F^xxxvi	60 (3)
Si1C—O3E—C1C^iv	83.99 (18)	C2K^xvii—C2C—C2L^xvii	22 (2)
Si1I—O3E—Si1C	174.4 (3)	C2A^xxx—C2D—C2E^xviii	32.3 (14)
Si1I—O3E—C1Bⁱⁱⁱ	90.15 (19)	C2A^xxx—C2D—C2I	106 (3)
Si1I—O3E—C1C^iv	101.5 (2)	C2G^xii—C2D—C2A^xxx	57 (2)
C1C^iv—O3E—C1Bⁱⁱⁱ	112.00 (12)	C2G^xii—C2D—C2E^xviii	74 (2)
Si1B—O3F—C1A	94.1 (2)	C2G^xii—C2D—C2I	75 (3)
Si1B—O3F—C1C^iv	86.6 (2)	C2H—C2D—C2A^xxx	125 (4)
Si1H—O3F—Si1B	171.7 (4)	C2H—C2D—C2E^xviii	94 (3)
Si1H—O3F—C1A	94.2 (2)	C2H—C2D—C2G^xii	113 (5)
Si1H—O3F—C1C^iv	90.1 (2)	C2H—C2D—C2I	38 (3)
C1A—O3F—C1C^iv	113.15 (15)	C2I—C2D—C2E^xviii	87 (2)
Si2Dⁱ—O4A—Si3^xxi	146.6 (3)	C2A^iv—C2E—C2B^xxxviii	116 (3)
Si2Dⁱ—O4A—C1Aⁱ	93.55 (19)	C2A^iv—C2E—C2D^xviii	37.7 (16)
Si2Dⁱ—O4A—C1Bⁱⁱⁱ	105.7 (2)	C2B^xxxviii—C2E—C2D^xviii	81.1 (19)
Si2Dⁱ—O4A—C1Dⁱ	73.38 (15)	C2F^xvi—C2E—C2A^iv	136 (5)
Si3^xxi—O4A—C1Aⁱ	88.80 (19)	C2F^xvi—C2E—C2B^xxxviii	21 (3)
Si3^xxi—O4A—C1Bⁱⁱⁱ	97.03 (19)	C2F^xvi—C2E—C2D^xviii	102 (4)
Si3^xxi—O4A—C1Dⁱ	74.74 (15)	C2B^xviii—C2F—C2A^vii	114 (3)
C1Aⁱ—O4A—C1Dⁱ	111.06 (10)	C2B^xviii—C2F—C2C^xxxvi	35 (3)
C1Bⁱⁱⁱ—O4A—C1Aⁱ	132.05 (12)	C2B^xviii—C2F—C2Eⁱ	140 (5)
C1Bⁱⁱⁱ—O4A—C1Dⁱ	116.41 (12)	C2B^xviii—C2F—C2K^vii	92 (4)
Si2C—O4B—C1A^vi	103.4 (2)	C2C^xxxvi—C2F—C2A^vii	92.2 (18)
Si2C—O4B—C1C	83.2 (3)	C2C^xxxvi—C2F—C2K^vii	56 (2)
Si2C—O4B—C1D^vi	84.5 (3)	C2Eⁱ—C2F—C2A^vii	28 (3)
Si3^xvi—O4B—Si2C	153.8 (4)	C2Eⁱ—C2F—C2C^xxxvi	119 (4)
Si3^xvi—O4B—C1A^vi	102.5 (2)	C2Eⁱ—C2F—C2K^vii	75 (4)
Si3^xvi—O4B—C1C	79.3 (3)	C2K^vii—C2F—C2A^vii	60 (2)
Si3^xvi—O4B—C1D^vi	83.4 (3)	C2A^xi—C2G—C2H^xv	94 (3)
C1A^vi—O4B—C1C	124.6 (2)	C2A^xi—C2G—C2I^xv	110 (3)
C1A^vi—O4B—C1D^vi	125.39 (19)	C2A^xi—C2G—C2K^xi	72 (3)
C1D^vi—O4B—C1C	109.92 (14)	C2A^xi—C2G—C2L^xi	93 (3)
Si2A—O4C—C1A^x	78.61 (19)	C2D^xv—C2G—C2A^xi	77 (3)
Si2A—O4C—C1B^ix	91.7 (2)	C2D^xv—C2G—C2H^xv	34 (3)
Si2A—O4C—C1Cⁱ	106.9 (2)	C2D^xv—C2G—C2I^xv	62 (3)
Si3—O4C—Si2A	147.3 (3)	C2D^xv—C2G—C2K^xi	116 (4)
Si3—O4C—C1A^x	71.83 (18)	C2D^xv—C2G—C2L^xi	126 (4)
Si3—O4C—C1B^ix	86.6 (2)	C2H^xv—C2G—C2L^xi	97 (3)
Si3—O4C—C1Cⁱ	98.76 (19)	C2I^xv—C2G—C2H^xv	28.0 (18)
C1B^ix—O4C—C1A^x	111.45 (10)	C2I^xv—C2G—C2K^xi	79 (3)
C1Cⁱ—O4C—C1A^x	116.8 (2)	C2I^xv—C2G—C2L^xi	73 (2)
C1Cⁱ—O4C—C1B^ix	130.6 (2)	C2K^xi—C2G—C2H^xv	94 (3)
Si2B^vii—O4D—Si3	151.5 (4)	C2K^xi—C2G—C2L^xi	22 (2)
Si2B^vii—O4D—C1B^ix	84.8 (2)	C2D—C2H—C2G^xii	33 (3)
Si2B^vii—O4D—C1Cⁱ	84.5 (3)	C2I—C2H—C2D	90 (5)
Si2B^vii—O4D—C1D^x	103.2 (2)	C2I—C2H—C2G^xii	56 (4)
Si3—O4D—C1B^ix	76.8 (2)	C2I—C2H—C2J^xvi	57 (4)
Si3—O4D—C1Cⁱ	82.3 (3)	C2J^xvi—C2H—C2D	127 (5)
Si3—O4D—C1D^x	105.1 (2)	C2J^xvi—C2H—C2G^xii	100 (4)
C1Cⁱ—O4D—C1B^ix	111.51 (14)	C2D—C2I—C2C^xxxix	120 (3)
C1D^x—O4D—C1B^ix	122.81 (17)	C2G^xii—C2I—C2C^xxxix	107 (2)
C1D^x—O4D—C1Cⁱ	125.52 (19)	C2G^xii—C2I—C2D	44 (2)
O2B^iv—C1A—O2B^xxi	180.0	C2H—C2I—C2C^xxxix	109 (5)
O2B^xxi—C1A—O2F^xxii	92.92 (10)	C2H—C2I—C2D	52 (4)
O2B^iv—C1A—O2F^xxii	87.08 (10)	C2H—C2I—C2G^xii	96 (4)
O2B^iv—C1A—O2F	92.92 (10)	C2H—C2I—C2J^xvi	74 (5)
O2B^xxi—C1A—O2F	87.08 (10)	C2J^xvi—C2I—C2C^xxxix	41 (3)
O2B^iv—C1A—O2K^xxi	113.02 (12)	C2J^xvi—C2I—C2D	112 (4)
O2B^xxi—C1A—O2K^iv	113.02 (12)	C2J^xvi—C2I—C2G^xii	132 (4)
O2B^iv—C1A—O2K^iv	66.98 (12)	C2C^xxxiii—C2J—C2B	54 (3)
O2B^xxi—C1A—O2K^xxi	66.98 (12)	C2C^xxxiii—C2J—C2Hⁱ	137 (5)
O2B^xxi—C1A—O2L^xxi	96.48 (11)	C2Hⁱ—C2J—C2B	111 (4)
O2B^iv—C1A—O2L^xxi	83.52 (11)	C2Iⁱ—C2J—C2B	118 (4)
O2B^iv—C1A—O2L^iv	96.48 (11)	C2Iⁱ—C2J—C2C^xxxiii	98 (5)
O2B^xxi—C1A—O2L^iv	83.52 (11)	C2Iⁱ—C2J—C2Hⁱ	49 (4)
O2B^iv—C1A—O3A^xxiii	126.22 (11)	C2A—C2K—C2F^vii	64 (3)
O2B^xxi—C1A—O3A^xxiii	53.78 (11)	C2C^xl—C2K—C2A	99 (3)
O2B^iv—C1A—O3F^xxii	141.24 (10)	C2C^xl—C2K—C2F^vii	63 (3)
O2B^xxi—C1A—O3F	141.24 (10)	C2G^xi—C2K—C2A	40.9 (16)
O2B^iv—C1A—O3F	38.76 (10)	C2G^xi—C2K—C2C^xl	88 (3)
O2B^xxi—C1A—O3F^xxii	38.76 (10)	C2G^xi—C2K—C2F^vii	93 (3)
O2F^xxii—C1A—O2F	180.0	C2L—C2K—C2A	106 (8)
O2F—C1A—O2K^xxi	108.80 (11)	C2L—C2K—C2C^xl	83 (7)
O2F—C1A—O2K^iv	71.20 (11)	C2L—C2K—C2F^vii	141 (9)
O2F^xxii—C1A—O2K^xxi	71.20 (11)	C2L—C2K—C2G^xi	66 (7)
O2F^xxii—C1A—O2K^iv	108.80 (11)	C2G^xi—C2L—C2C^xl	92 (3)
O2F^xxii—C1A—O3A^xxiii	71.20 (9)	C2K—C2L—C2C^xl	75 (7)
O2F—C1A—O3A^xxiii	108.80 (9)	C2K—C2L—C2G^xi	93 (8)

Symmetry codes: (i) x, y+1, z; (ii) x−1, y+1, z; (iii) x, y+1/2, z−1/2; (iv) −x+1, −y+1/2, −z+1/2; (v) −x+2, −y+1/2, −z+1/2; (vi) x+1, y, z; (vii) −x+1, −y+3/2, −z+1/2; (viii) −x+2, −y+1, −z+1; (ix) x+1, y+1/2, z−1/2; (x) x+1, y+1, z; (xi) −x+1, −y+1, −z+1; (xii) −x+1/2, y−1/2, −z+1; (xiii) x, y−1/2, z+1/2; (xiv) −x+1, −y, −z+1; (xv) −x+1/2, y+1/2, −z+1; (xvi) x, y−1, z; (xvii) x, y−1/2, z−1/2; (xviii) −x+1/2, y, −z+1/2; (xix) x+1, y−1, z; (xx) x+1, y−1/2, z−1/2; (xxi) x−1, y, z; (xxii) −x, −y+1/2, −z+1/2; (xxiii) −x, −y+3/2, −z+1/2; (xxiv) −x, −y+1, −z+1; (xxv) x−1, y−1/2, z+1/2; (xxvi) x−1, y+1/2, z+1/2; (xxvii) x+1/2, −y+1/2, z; (xxviii) −x+3/2, y, −z+1/2; (xxix) −x+3/2, y−1, −z+1/2; (xxx) x−1/2, −y+1/2, z; (xxxi) −x, −y, −z+1; (xxxii) x−1, y−1, z; (xxxiii) x−1/2, −y+1, z+1/2; (xxxiv) −x+1/2, y+1, −z+1/2; (xxxv) x+1/2, −y+1, z−1/2; (xxxvi) −x+1, −y+1, −z; (xxxvii) x+1/2, −y, z−1/2; (xxxviii) −x+1/2, y−1, −z+1/2; (xxxix) x−1/2, −y, z+1/2; (xl) x, y+1/2, z+1/2.

(100k_cubic) top

Crystal data top

0.01(C_56.34Na_1.52O₂₇₂Si₁₃₆)·0.12(C)	D_x = 1.961 Mg m⁻³
M_r = 63.35	Mo Kα radiation, λ = 0.71073 Å
Cubic, Fd3m	Cell parameters from 30099 reflections
a = 19.3944 (15) Å	θ = 3–67°
V = 7295.1 (17) Å³	µ = 0.71 mm⁻¹
Z = 136	T = 100 K
F(000) = 4301	Platelet

Data collection top

StoeStadiVari diffractometer	θ_max = 33.4°, θ_min = 3.0°
30099 measured reflections	h = −14→29
718 independent reflections	k = −29→29
695 reflections with I > 2σ(I)	l = −29→29
R_int = 0.330

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + 2478.P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.231	(Δ/σ)_max < 0.001
wR(F²) = 0.430	Δρ_max = 1.46 e Å⁻³
S = 1.19	Δρ_min = −6.57 e Å⁻³
718 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
42 parameters	Extinction coefficient: 0.0019 (5)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Si1	0.0679 (2)	0.0679 (2)	0.3690 (2)	0.0317 (16)
Si2	0.21649 (19)	0.21649 (19)	0.21649 (19)	0.0114 (14)
Si3	0.1250	0.1250	0.1250	0.016 (3)
O1	0.0000	0.3451 (10)	−0.3451 (10)	0.085 (8)
O2	0.1999 (14)	0.1999 (14)	0.2940 (13)	0.122 (12)
O3	0.3752 (17)	0.1250	0.1250	0.060 (7)
O4	0.1718 (8)	0.1718 (8)	0.1718 (8)	0.113 (19)
Na	0.5000	0.5000	0.5000	0.050*	0.09 (6)
C1	0.0000	0.0000	0.0000	0.024 (8)
C2C	0.394 (6)	0.394 (6)	0.287 (9)	0.050*	0.17 (7)
C2D	0.357 (4)	0.357 (4)	0.425 (6)	0.050*	0.22 (6)
C2E	0.323 (5)	0.323 (5)	0.350 (7)	0.050*	0.19 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Si1	0.043 (2)	0.043 (2)	0.009 (2)	0.022 (2)	−0.0058 (15)	−0.0058 (15)
Si2	0.0114 (14)	0.0114 (14)	0.0114 (14)	−0.0031 (12)	−0.0031 (12)	−0.0031 (12)
Si3	0.016 (3)	0.016 (3)	0.016 (3)	0.000	0.000	0.000
O1	0.062 (14)	0.096 (12)	0.096 (12)	−0.024 (8)	−0.024 (8)	−0.022 (14)
O2	0.164 (19)	0.164 (19)	0.038 (11)	0.01 (2)	0.044 (11)	0.044 (11)
O3	0.09 (2)	0.045 (9)	0.045 (9)	0.000	0.000	0.009 (12)
O4	0.113 (19)	0.113 (19)	0.113 (19)	−0.058 (12)	−0.058 (12)	−0.058 (12)
C1	0.024 (8)	0.024 (8)	0.024 (8)	0.001 (9)	0.001 (9)	0.001 (9)

Geometric parameters (Å, º) top

Si1—O1ⁱ	1.580 (4)	Na—C2D^xxx	3.28 (11)
Si1—O1ⁱⁱ	1.580 (4)	Na—C2D^xxxi	3.28 (11)
Si1—O2ⁱⁱⁱ	1.53 (2)	Na—C2D^xxxii	3.28 (11)
Si1—O3^iv	1.571 (7)	C2C—C2C^xxxiii	1.9 (3)
Si1—Na^v	5.604 (6)	C2C—C2C^v	1.1 (3)
Si1—Na^vi	3.150 (6)	C2C—C2C^xxxiv	1.9 (3)
Si2—O2^vii	1.57 (2)	C2C—C2D^vii	1.65 (16)
Si2—O2	1.57 (2)	C2C—C2D^viii	1.65 (16)
Si2—O2^viii	1.57 (2)	C2C—C2D^xxxv	1.02 (15)
Si2—O4	1.50 (3)	C2C—C2D^xxxvi	1.02 (15)
Si2—Na^ix	5.575 (5)	C2C—C2E^viii	1.76 (17)
Si2—Na^x	5.575 (5)	C2C—C2E^v	1.5 (2)
Si2—Na^v	5.575 (5)	C2C—C2E^vii	1.76 (17)
Si3—O4ⁱⁱⁱ	1.57 (3)	C2C—C2E^xxxvii	0.95 (15)
Si3—O4^xi	1.57 (3)	C2C—C2E^xxxviii	0.95 (15)
Si3—O4^xii	1.57 (3)	C2D—C2C^xxxvi	1.02 (15)
Si3—O4	1.57 (3)	C2D—C2C^xxxv	1.02 (15)
O1—Si1^xiii	1.580 (4)	C2D—C2D^xxxiv	0.9 (2)
O1—Si1^xiv	1.580 (4)	C2D—C2D^xxxiii	0.9 (2)
O1—Na^xv	2.61 (3)	C2D—C2D^xxxviii	1.62 (17)
O2—Si1ⁱⁱⁱ	1.53 (2)	C2D—C2D^v	1.0 (2)
O2—Na^v	4.22 (3)	C2D—C2E^xxxiii	1.06 (12)
O3—Si1^viii	1.571 (7)	C2D—C2E^xxxv	1.59 (12)
O3—Si1^xvi	1.571 (7)	C2D—C2E^xxxi	1.36 (11)
O3—Na^xvii	4.20 (2)	C2D—C2E^xxxiv	1.06 (12)
O3—Na^ix	4.20 (2)	C2D—C2E^xxxvi	1.59 (12)
Na—Si1^xviii	3.150 (6)	C2D—C2E^xxxii	1.36 (11)
Na—Si1^xix	3.150 (6)	C2E—C2C^xxxii	0.95 (15)
Na—Si1^xx	3.150 (6)	C2E—C2C^v	1.5 (2)
Na—Si1^xxi	3.150 (6)	C2E—C2C^xxxi	0.95 (15)
Na—Si1^xxii	3.150 (6)	C2E—C2D^xxxiv	1.06 (12)
Na—Si1^xxiii	3.150 (6)	C2E—C2D^xxxviii	1.36 (11)
Na—O1^xxiv	2.61 (3)	C2E—C2D^xxxvi	1.59 (12)
Na—O1^xxv	2.61 (3)	C2E—C2D^xxxv	1.59 (12)
Na—O1^xxvi	2.61 (3)	C2E—C2D^xxxvii	1.36 (11)
Na—O1^xxvii	2.61 (3)	C2E—C2D^xxxiii	1.06 (12)
Na—O1^xxviii	2.61 (3)	C2E—C2E^vii	0.8 (2)
Na—O1^xxix	2.61 (3)	C2E—C2E^viii	0.8 (2)

O1ⁱ—Si1—O1ⁱⁱ	111.2 (19)	C2D^xxxv—C2C—C2D^vii	70 (10)
O1ⁱⁱ—Si1—Na^v	96.6 (2)	C2D^vii—C2C—C2D^viii	69 (10)
O1ⁱ—Si1—Na^vi	55.7 (10)	C2D^xxxvi—C2C—C2D^xxxv	57 (10)
O1ⁱⁱ—Si1—Na^vi	55.7 (10)	C2D^xxxv—C2C—C2D^viii	28 (8)
O1ⁱ—Si1—Na^v	96.6 (2)	C2D^xxxvi—C2C—C2D^viii	70 (10)
O2ⁱⁱⁱ—Si1—O1ⁱ	107.8 (9)	C2D^xxxvi—C2C—C2E^vii	33 (8)
O2ⁱⁱⁱ—Si1—O1ⁱⁱ	107.8 (9)	C2D^xxxvi—C2C—C2E^viii	50 (10)
O2ⁱⁱⁱ—Si1—O3^iv	113 (2)	C2D^viii—C2C—C2E^viii	61 (7)
O2ⁱⁱⁱ—Si1—Na^v	135.6 (16)	C2D^xxxv—C2C—C2E^v	74 (10)
O2ⁱⁱⁱ—Si1—Na^vi	125.2 (16)	C2D^vii—C2C—C2E^vii	61 (7)
O3^iv—Si1—O1ⁱ	108.5 (8)	C2D^vii—C2C—C2E^viii	76 (8)
O3^iv—Si1—O1ⁱⁱ	108.5 (8)	C2D^viii—C2C—C2E^vii	76 (8)
O3^iv—Si1—Na^v	22.6 (12)	C2D^xxxv—C2C—C2E^vii	50 (10)
O3^iv—Si1—Na^vi	121.8 (13)	C2D^xxxv—C2C—C2E^viii	33 (8)
Na^vi—Si1—Na^v	99.27 (11)	C2D^xxxvi—C2C—C2E^v	74 (10)
O2^vii—Si2—O2	110.5 (15)	C2E^xxxviii—C2C—C2C^xxxiv	7 (8)
O2^viii—Si2—O2	110.5 (15)	C2E^viii—C2C—C2C^xxxiii	94 (6)
O2^viii—Si2—O2^vii	110.5 (15)	C2E^v—C2C—C2C^xxxiii	30.0 (3)
O2^viii—Si2—Na^x	96.5 (12)	C2E^vii—C2C—C2C^xxxiii	106 (6)
O2—Si2—Na^ix	96.5 (12)	C2E^v—C2C—C2C^xxxiv	30.0 (3)
O2—Si2—Na^v	26.3 (15)	C2E^xxxvii—C2C—C2C^xxxiii	7 (8)
O2^vii—Si2—Na^ix	96.5 (12)	C2E^vii—C2C—C2C^xxxiv	94 (6)
O2—Si2—Na^x	96.5 (12)	C2E^xxxvii—C2C—C2C^v	124 (10)
O2^vii—Si2—Na^v	96.5 (12)	C2E^viii—C2C—C2C^xxxiv	106 (6)
O2^viii—Si2—Na^ix	26.3 (15)	C2E^xxxvii—C2C—C2C^xxxiv	53 (8)
O2^vii—Si2—Na^x	26.3 (15)	C2E^xxxviii—C2C—C2C^v	124 (10)
O2^viii—Si2—Na^v	96.5 (12)	C2E^xxxviii—C2C—C2C^xxxiii	53 (8)
O4—Si2—O2	108.5 (15)	C2E^xxxvii—C2C—C2D^xxxvi	87 (10)
O4—Si2—O2^viii	108.5 (15)	C2E^xxxviii—C2C—C2D^xxxvi	65 (10)
O4—Si2—O2^vii	108.5 (15)	C2E^xxxviii—C2C—C2D^viii	70 (10)
O4—Si2—Na^x	134.75 (5)	C2E^xxxvii—C2C—C2D^viii	37 (10)
O4—Si2—Na^v	134.75 (5)	C2E^xxxviii—C2C—C2D^vii	37 (10)
O4—Si2—Na^ix	134.75 (5)	C2E^v—C2C—C2D^vii	51 (7)
Na^ix—Si2—Na^v	75.90 (7)	C2E^xxxvii—C2C—C2D^vii	70 (10)
Na^x—Si2—Na^v	75.90 (7)	C2E^xxxviii—C2C—C2D^xxxv	87 (10)
Na^x—Si2—Na^ix	75.90 (7)	C2E^xxxvii—C2C—C2D^xxxv	65 (10)
O4—Si3—O4^xi	109.471 (4)	C2E^v—C2C—C2D^viii	51 (7)
O4^xii—Si3—O4^xi	109.5	C2E^xxxvii—C2C—C2E^v	23 (8)
O4—Si3—O4ⁱⁱⁱ	109.5	C2E^v—C2C—C2E^vii	102 (10)
O4—Si3—O4^xii	109.471 (3)	C2E^xxxvii—C2C—C2E^vii	107 (10)
O4^xii—Si3—O4ⁱⁱⁱ	109.471 (2)	C2E^xxxviii—C2C—C2E^viii	107 (10)
O4^xi—Si3—O4ⁱⁱⁱ	109.471 (2)	C2E^xxxviii—C2C—C2E^xxxvii	47 (10)
Si1^xiii—O1—Si1^xiv	171.3 (19)	C2E^xxxviii—C2C—C2E^v	23 (8)
Si1^xiv—O1—Na^xv	94.3 (10)	C2E^v—C2C—C2E^viii	102 (10)
Si1^xiii—O1—Na^xv	94.3 (10)	C2E^xxxviii—C2C—C2E^vii	97 (10)
Si1ⁱⁱⁱ—O2—Si2	178 (3)	C2E^xxxvii—C2C—C2E^viii	97 (10)
Si1ⁱⁱⁱ—O2—Na^v	37.6 (12)	C2E^vii—C2C—C2E^viii	25 (8)
Si2—O2—Na^v	144.2 (19)	C2C^xxxv—C2D—C2C^xxxvi	62 (10)
Si1^viii—O3—Si1^xvi	171 (2)	C2C^xxxv—C2D—C2D^xxxviii	106 (10)
Si1^xvi—O3—Na^ix	39.6 (9)	C2C^xxxvi—C2D—C2D^xxxviii	150 (10)
Si1^viii—O3—Na^xvii	39.6 (9)	C2C^xxxv—C2D—C2E^xxxvi	67 (10)
Si1^xvi—O3—Na^xvii	149.2 (16)	C2C^xxxv—C2D—C2E^xxxiv	54 (9)
Si1^viii—O3—Na^ix	149.2 (16)	C2C^xxxvi—C2D—C2E^xxxi	44 (9)
Na^ix—O3—Na^xvii	109.6 (8)	C2C^xxxvi—C2D—C2E^xxxiii	54 (9)
Si2—O4—Si3	180 (3)	C2C^xxxvi—C2D—C2E^xxxii	94 (10)
Si1^xx—Na—Si1^xix	119.971 (7)	C2C^xxxv—C2D—C2E^xxxiii	116 (10)
Si1^xxii—Na—Si1^xxi	119.971 (7)	C2C^xxxvi—C2D—C2E^xxxvi	122 (10)
Si1^xx—Na—Si1^xviii	119.971 (6)	C2C^xxxvi—C2D—C2E^xxxv	67 (10)
Si1^xviii—Na—Si1^xxi	180.0	C2C^xxxv—C2D—C2E^xxxi	94 (10)
Si1^xx—Na—Si1^xxi	60.029 (6)	C2C^xxxv—C2D—C2E^xxxii	44 (9)
Si1^xxi—Na—Si1^xix	60.029 (6)	C2C^xxxv—C2D—C2E^xxxv	122 (10)
Si1^xxii—Na—Si1^xix	60.029 (6)	C2C^xxxvi—C2D—C2E^xxxiv	116 (10)
Si1^xviii—Na—Si1^xxiii	60.029 (6)	C2D^xxxiv—C2D—C2C^xxxv	179 (8)
Si1^xviii—Na—Si1^xix	119.971 (6)	C2D^v—C2D—C2C^xxxv	61 (8)
Si1^xx—Na—Si1^xxiii	60.029 (6)	C2D^xxxiii—C2D—C2C^xxxv	119 (10)
Si1^xxii—Na—Si1^xx	180.00 (15)	C2D^xxxiii—C2D—C2C^xxxvi	179 (8)
Si1^xxii—Na—Si1^xxiii	119.971 (6)	C2D^xxxiv—C2D—C2C^xxxvi	119 (10)
Si1^xxii—Na—Si1^xviii	60.029 (6)	C2D^v—C2D—C2C^xxxvi	61 (8)
Si1^xxi—Na—Si1^xxiii	119.971 (6)	C2D^xxxiv—C2D—C2D^v	120.00 (6)
Si1^xxiii—Na—Si1^xix	180.0	C2D^v—C2D—C2D^xxxviii	88 (6)
Si1^xxi—Na—C2D^xxxi	93.5 (10)	C2D^xxxiii—C2D—C2D^v	120.00 (4)
Si1^xxii—Na—C2D^xxx	86.5 (10)	C2D^xxxiv—C2D—C2D^xxxviii	74 (3)
Si1^xix—Na—C2D^xxx	80 (2)	C2D^xxxiii—C2D—C2D^xxxviii	32 (6)
Si1^xviii—Na—C2D^xxxi	86.5 (10)	C2D^xxxiv—C2D—C2D^xxxiii	60.00 (4)
Si1^xxi—Na—C2D^xxx	86.5 (10)	C2D^xxxiv—C2D—C2E^xxxii	136 (7)
Si1^xxiii—Na—C2D^xxx	100 (2)	C2D^xxxiii—C2D—C2E^xxxv	112 (6)
Si1^xx—Na—C2D^xxxi	100 (2)	C2D^v—C2D—C2E^xxxii	50 (6)
Si1^xix—Na—C2D^xxxi	86.5 (10)	C2D^xxxiii—C2D—C2E^xxxvi	59 (5)
Si1^xviii—Na—C2D^xxxii	86.5 (10)	C2D^v—C2D—C2E^xxxi	50 (6)
Si1^xviii—Na—C2D^xxx	93.5 (10)	C2D^xxxiii—C2D—C2E^xxxiv	65 (7)
Si1^xxi—Na—C2D^xxxii	93.5 (10)	C2D^xxxiv—C2D—C2E^xxxiii	65 (7)
Si1^xxii—Na—C2D^xxxii	93.5 (10)	C2D^v—C2D—C2E^xxxvi	72 (4)
Si1^xxiii—Na—C2D^xxxii	80 (2)	C2D^v—C2D—C2E^xxxiii	84 (8)
Si1^xxii—Na—C2D^xxxi	80 (2)	C2D^xxxiv—C2D—C2E^xxxiv	125 (7)
Si1^xix—Na—C2D^xxxii	100 (2)	C2D^xxxiii—C2D—C2E^xxxiii	125 (7)
Si1^xx—Na—C2D^xxxii	86.5 (10)	C2D^xxxiv—C2D—C2E^xxxi	87 (7)
Si1^xx—Na—C2D^xxx	93.5 (10)	C2D^v—C2D—C2E^xxxv	72 (4)
Si1^xxiii—Na—C2D^xxxi	93.5 (10)	C2D^xxxiv—C2D—C2E^xxxvi	112 (6)
O1^xxix—Na—Si1^xix	90.000 (1)	C2D^xxxiv—C2D—C2E^xxxv	59 (5)
O1^xxvi—Na—Si1^xviii	90.000 (1)	C2D^xxxiii—C2D—C2E^xxxi	136 (7)
O1^xxiv—Na—Si1^xix	149.986 (3)	C2D^xxxiii—C2D—C2E^xxxii	87 (7)
O1^xxviii—Na—Si1^xix	30.014 (3)	C2D^v—C2D—C2E^xxxiv	84 (8)
O1^xxv—Na—Si1^xx	149.986 (3)	C2E^xxxvi—C2D—C2D^xxxviii	38 (5)
O1^xxvii—Na—Si1^xix	149.986 (3)	C2E^xxxiv—C2D—C2D^xxxviii	57 (8)
O1^xxv—Na—Si1^xviii	30.014 (3)	C2E^xxxii—C2D—C2D^xxxviii	64 (6)
O1^xxix—Na—Si1^xx	30.014 (3)	C2E^xxxv—C2D—C2D^xxxviii	105 (6)
O1^xxv—Na—Si1^xxi	149.986 (3)	C2E^xxxi—C2D—C2D^xxxviii	117 (8)
O1^xxviii—Na—Si1^xx	90.0	C2E^xxxiii—C2D—C2D^xxxviii	127 (9)
O1^xxv—Na—Si1^xxii	30.014 (3)	C2E^xxxiv—C2D—C2E^xxxii	33 (10)
O1^xxvii—Na—Si1^xx	90.0	C2E^xxxiii—C2D—C2E^xxxv	24 (8)
O1^xxvi—Na—Si1^xxiii	149.986 (3)	C2E^xxxiv—C2D—C2E^xxxi	134 (10)
O1^xxix—Na—Si1^xviii	149.986 (3)	C2E^xxxi—C2D—C2E^xxxvi	120 (10)
O1^xxviii—Na—Si1^xviii	149.986 (3)	C2E^xxxiii—C2D—C2E^xxxi	33 (10)
O1^xxvi—Na—Si1^xix	30.014 (3)	C2E^xxxv—C2D—C2E^xxxvi	128 (10)
O1^xxiv—Na—Si1^xxii	149.986 (3)	C2E^xxxiv—C2D—C2E^xxxv	150 (10)
O1^xxiv—Na—Si1^xxi	90.0	C2E^xxxii—C2D—C2E^xxxvi	28 (7)
O1^xxvi—Na—Si1^xxi	90.000 (1)	C2E^xxxiv—C2D—C2E^xxxvi	24 (8)
O1^xxviii—Na—Si1^xxiii	149.986 (3)	C2E^xxxiii—C2D—C2E^xxxvi	150 (10)
O1^xxix—Na—Si1^xxi	30.014 (3)	C2E^xxxii—C2D—C2E^xxxi	101 (10)
O1^xxix—Na—Si1^xxiii	90.0	C2E^xxxii—C2D—C2E^xxxv	120 (10)
O1^xxvii—Na—Si1^xxi	149.986 (3)	C2E^xxxi—C2D—C2E^xxxv	28 (7)
O1^xxviii—Na—Si1^xxi	30.014 (3)	C2E^xxxiii—C2D—C2E^xxxii	134 (10)
O1^xxix—Na—Si1^xxii	149.986 (3)	C2E^xxxiv—C2D—C2E^xxxiii	167 (10)
O1^xxvi—Na—Si1^xxii	30.014 (3)	C2C^xxxii—C2E—C2C^v	97 (8)
O1^xxiv—Na—Si1^xxiii	30.014 (3)	C2C^xxxi—C2E—C2C^v	97 (8)
O1^xxvii—Na—Si1^xxii	90.0	C2C^xxxi—C2E—C2C^xxxii	166 (10)
O1^xxv—Na—Si1^xxiii	90.000 (1)	C2C^xxxi—C2E—C2D^xxxiii	111 (10)
O1^xxviii—Na—Si1^xxii	90.0	C2C^xxxi—C2E—C2D^xxxv	76 (10)
O1^xxiv—Na—Si1^xviii	90.000 (1)	C2C^xxxi—C2E—C2D	86 (10)
O1^xxiv—Na—Si1^xx	30.014 (3)	C2C^v—C2E—C2D	111 (10)
O1^xxv—Na—Si1^xix	90.0	C2C^xxxii—C2E—C2D^xxxvii	135 (10)
O1^xxvii—Na—Si1^xviii	30.014 (3)	C2C^xxxi—C2E—C2D^xxxvi	112 (10)
O1^xxvi—Na—Si1^xx	149.986 (3)	C2C^xxxi—C2E—C2D^xxxiv	61 (10)
O1^xxvii—Na—Si1^xxiii	30.014 (3)	C2C^xxxii—C2E—C2D^xxxiii	61 (10)
O1^xxvi—Na—O1^xxix	120.000 (1)	C2C^v—C2E—C2D^xxxv	38 (6)
O1^xxix—Na—O1^xxvii	120.000 (1)	C2C^xxxii—C2E—C2D^xxxv	112 (10)
O1^xxiv—Na—O1^xxix	60.000 (1)	C2C^xxxii—C2E—C2D^xxxvi	76 (10)
O1^xxv—Na—O1^xxvii	60.000 (1)	C2C^xxxii—C2E—C2D	86 (10)
O1^xxiv—Na—O1^xxvi	180.0	C2C^xxxii—C2E—C2D^xxxiv	111 (10)
O1^xxvi—Na—O1^xxv	60.0	C2C^v—C2E—C2D^xxxvi	38 (6)
O1^xxvi—Na—O1^xxviii	60.000 (1)	C2C^xxxi—C2E—C2D^xxxviii	135 (10)
O1^xxv—Na—O1^xxix	180.0	C2C^xxxii—C2E—C2D^xxxviii	49 (10)
O1^xxv—Na—O1^xxviii	120.000 (1)	C2C^xxxi—C2E—C2D^xxxvii	49 (10)
O1^xxviii—Na—O1^xxvii	180.0	C2D^xxxviii—C2E—C2C^v	69 (9)
O1^xxix—Na—O1^xxviii	60.000 (1)	C2D^xxxiv—C2E—C2C^v	111 (10)
O1^xxiv—Na—O1^xxviii	120.000 (1)	C2D^xxxvii—C2E—C2C^v	69 (9)
O1^xxiv—Na—O1^xxvii	60.000 (1)	C2D^xxxiii—C2E—C2C^v	111 (10)
O1^xxvi—Na—O1^xxvii	120.000 (1)	C2D^xxxiv—C2E—C2D^xxxvii	46 (10)
O1^xxiv—Na—O1^xxv	120.000 (1)	C2D^xxxviii—C2E—C2D	62 (8)
O1^xxix—Na—C2D^xxxi	97.8 (17)	C2D^xxxiv—C2E—C2D^xxxviii	83 (10)
O1^xxvii—Na—C2D^xxx	97.8 (17)	C2D^xxxiii—C2E—C2D	25 (7)
O1^xxix—Na—C2D^xxx	90.000 (5)	C2D^xxxviii—C2E—C2D^xxxvi	34 (9)
O1^xxvi—Na—C2D^xxxii	97.8 (17)	C2D^xxxvii—C2E—C2D^xxxvi	66 (9)
O1^xxv—Na—C2D^xxx	90.000 (9)	C2D^xxxiv—C2E—C2D	25 (7)
O1^xxv—Na—C2D^xxxii	90.000 (5)	C2D^xxxiii—C2E—C2D^xxxvii	83 (10)
O1^xxv—Na—C2D^xxxi	82.2 (17)	C2D^xxxv—C2E—C2D	77 (9)
O1^xxix—Na—C2D^xxxii	90.000 (10)	C2D^xxxiii—C2E—C2D^xxxvi	72 (10)
O1^xxvi—Na—C2D^xxx	82.2 (17)	C2D^xxxiv—C2E—C2D^xxxv	72 (10)
O1^xxvii—Na—C2D^xxxi	90.000 (3)	C2D^xxxviii—C2E—C2D^xxxvii	87 (10)
O1^xxiv—Na—C2D^xxxi	97.8 (17)	C2D^xxxiii—C2E—C2D^xxxv	87 (10)
O1^xxviii—Na—C2D^xxxii	97.8 (17)	C2D^xxxiii—C2E—C2D^xxxviii	46 (10)
O1^xxvi—Na—C2D^xxxi	82.2 (17)	C2D^xxxviii—C2E—C2D^xxxv	66 (9)
O1^xxviii—Na—C2D^xxx	82.2 (17)	C2D^xxxvi—C2E—C2D	77 (9)
O1^xxiv—Na—C2D^xxx	97.8 (17)	C2D^xxxvii—C2E—C2D^xxxv	34 (9)
O1^xxviii—Na—C2D^xxxi	90.000 (14)	C2D^xxxvii—C2E—C2D	62 (8)
O1^xxvii—Na—C2D^xxxii	82.2 (17)	C2D^xxxiv—C2E—C2D^xxxvi	87 (10)
O1^xxiv—Na—C2D^xxxii	82.2 (17)	C2D^xxxiv—C2E—C2D^xxxiii	50 (10)
C2D^xxxii—Na—C2D^xxx	180 (2)	C2D^xxxv—C2E—C2D^xxxvi	36 (8)
C2D^xxxii—Na—C2D^xxxi	16 (3)	C2E^vii—C2E—C2C^xxxii	67 (8)
C2D^xxx—Na—C2D^xxxi	164 (3)	C2E^viii—C2E—C2C^v	30.0 (3)
C2C^v—C2C—C2C^xxxiv	120.00 (5)	C2E^viii—C2E—C2C^xxxii	127 (8)
C2C^v—C2C—C2C^xxxiii	120.00 (4)	C2E^vii—C2E—C2C^v	30.0 (3)
C2C^xxxiv—C2C—C2C^xxxiii	59.997 (13)	C2E^vii—C2E—C2C^xxxi	127 (8)
C2C^v—C2C—C2D^viii	87 (6)	C2E^viii—C2E—C2C^xxxi	67 (8)
C2C^v—C2C—C2D^vii	87 (6)	C2E^viii—C2E—C2D^xxxiii	122 (10)
C2C^v—C2C—C2E^v	126 (9)	C2E^vii—C2E—C2D^xxxiii	96 (8)
C2C^v—C2C—C2E^vii	27 (6)	C2E^vii—C2E—C2D	109 (5)
C2C^v—C2C—C2E^viii	27 (6)	C2E^viii—C2E—C2D^xxxv	34 (6)
C2D^xxxvi—C2C—C2C^xxxiv	61 (10)	C2E^vii—C2E—C2D^xxxviii	50 (6)
C2D^vii—C2C—C2C^xxxiv	33 (6)	C2E^viii—C2E—C2D^xxxiv	96 (8)
C2D^viii—C2C—C2C^xxxiii	33 (6)	C2E^viii—C2E—C2D	109 (5)
C2D^xxxv—C2C—C2C^xxxiii	61 (10)	C2E^vii—C2E—C2D^xxxv	59 (5)
C2D^vii—C2C—C2C^xxxiii	74 (6)	C2E^viii—C2E—C2D^xxxvii	50 (6)
C2D^xxxv—C2C—C2C^xxxiv	90 (10)	C2E^viii—C2E—C2D^xxxvi	59 (5)
C2D^viii—C2C—C2C^xxxiv	74 (6)	C2E^viii—C2E—C2D^xxxviii	93 (7)
C2D^xxxvi—C2C—C2C^xxxiii	90 (10)	C2E^vii—C2E—C2D^xxxvii	93 (7)
C2D^xxxv—C2C—C2C^v	59 (10)	C2E^vii—C2E—C2D^xxxiv	122 (10)
C2D^xxxvi—C2C—C2C^v	59 (10)	C2E^vii—C2E—C2D^xxxvi	34 (6)
C2D^xxxvi—C2C—C2D^vii	28 (8)	C2E^vii—C2E—C2E^viii	60.00 (5)

Symmetry codes: (i) y−1/4, −x, z+3/4; (ii) −x, y−1/4, z+3/4; (iii) −x+1/4, −y+1/4, z; (iv) −z+1/4, −y+1/4, x; (v) −x+3/4, −y+3/4, z; (vi) x−1/2, y−1/2, z; (vii) y, z, x; (viii) z, x, y; (ix) −y+1, x−1/4, z−1/4; (x) y−1/4, −x+1, z−1/4; (xi) y, −x+1/4, −z+1/4; (xii) −y+1/4, x, −z+1/4; (xiii) −y, x+1/4, z−3/4; (xiv) y, −z+3/4, −x−1/4; (xv) −y+1/2, x−1/4, z−3/4; (xvi) z, −y+1/4, −x+1/4; (xvii) x, y−1/2, z−1/2; (xviii) x+1/2, y+1/2, z; (xix) z, x+1/2, y+1/2; (xx) y+1/2, z, x+1/2; (xxi) −x+1/2, −y+1/2, −z+1; (xxii) −y+1/2, −z+1, −x+1/2; (xxiii) −z+1, −x+1/2, −y+1/2; (xxiv) −z+1/4, −y+3/4, x+1/2; (xxv) −x+1/2, y+1/4, z+3/4; (xxvi) z+3/4, y+1/4, −x+1/2; (xxvii) y+1/4, −x+1/2, z+3/4; (xxviii) −y+3/4, x+1/2, −z+1/4; (xxix) x+1/2, −y+3/4, −z+1/4; (xxx) −z+1, y+1/4, x+1/4; (xxxi) −x+3/4, z, −y+3/4; (xxxii) z, −y+3/4, −x+3/4; (xxxiii) −z+3/4, x, −y+3/4; (xxxiv) y, −z+3/4, −x+3/4; (xxxv) −y+3/4, x, −z+3/4; (xxxvi) y, −x+3/4, −z+3/4; (xxxvii) −x+3/4, −z+3/4, y; (xxxviii) −z+3/4, −y+3/4, x.

Acknowledgements

We thank A. Wagner for the sample preparation. We are grateful to the comments of three anonymous reviewers.

Funding information

Financial support was provided by the University of Vienna (grant BE532003). Open-access funding was provided by the University of Vienna.

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Volume 5| Part 5| September 2018| Pages 595-607

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