Crystal structure of eveslogite revealed by electron diffraction techniques: a titanosilicate mineral with structurally and compositionally distinct nanoscopic tubular units

While silicate nanotubules are unknown in synthetic materials so far, naturally occurring minerals provide several examples of nanoscopic tubular structural building units based upon silicate oxyanions. The crystal structure of eveslogite, a chemically and structurally complex natural silicate mineral from Eveslogchorr mountain, Khibiny massif, Kola Peninsula, Russia, with an idealized sum formula of K_17.5(Ba,Sr)₄(Na,Ca)₄₀[(Ti,Nb,Fe,Mn)₁₁Si₆₂O₁₇₉(OH,F)₁₂(O,OH)₁₃](H₂O) has been solved using modern electron crystallography techniques. This study reveals the first example of a binary structure formed by two different types of transition-metal-modified silicate nanotubular units in a fibrous crystal. One of these is closely related to the nanorod occurring in the unitary nanotubule-based structure of yuksporite, whereas the other is unprecedented and can be considered as an (Nb, Ti)-modified derivative of the [Si₁₂O₃₀]¹²⁻ nanotubular units occurring in the binary all-silicate nanotubule-based structures of charoite polytypes. The eveslogite tubular units are packed in a tight arrangement and linked with each other through secondary inter­actions involving Ca²⁺- and Na⁺-centered polyhedra. The interiors and walls of the tubules are occupied by K⁺ and Ba²⁺ cations as well as H₂O molecules. Topological analysis of the interpolyhedral connectivity shows that the walls of the nanotubules possess topologies related to those of lamprophyllite and delhayelite-group minerals. This topological relationship may indicate possible structural pathways linking these framework types and highlights interesting similarities of exfoliation processes that are well known in modern soft chemistry nanotechnologies. Information-based structural complexity calculations place eveslogite among the most complex minerals known so far. Our study further demonstrates the enormous potential of mineralogy to discover structures unprecedented among the currently known synthetic materials and may serve as an inspiration for the preparation of novel types of artificial nano­structures and their possible technical applications in various fields.

1. Introduction

The discovery of free-standing carbon nanotubes in 1991 has been one of the milestones in the current development of nanoscience and nanotechnology (Iijima, 1991). This remarkable achievement was followed by the fabrication of various inorganic nanotubes, most prominently sulfide-based examples (Tremel, 1999; Tenne, 2002; Serra et al., 2019), and by the recognition that free-standing nanotubes and nanotubular arrangements also occur in minerals including chrysotile, halloysite, imogolite, tochilinite, and many more (Krivovichev, 2008; Pasbakhsh & Churchman, 2015). The advent of modern electron crystallography methods, in particular high-angle annular darkfield (HAADF) imaging, high-resolution transmission electron microscopy (HRTEM), precession electron diffraction (PED) and three-dimensional electron diffraction (3D ED) (Kolb et al., 2007; Kolb et al., 2008; Kolb et al., 2011; Mugnaioli et al., 2009; Gemmi et al., 2019; Simoncic et al., 2023) allow us to reveal even more prominent nanoscopic tubular structural units in charoite (Rozhdestvenskaya et al., 2010; Rozhdestvenskaya et al., 2011) and denisovite (Rozhdestvenskaya et al., 2017). In this paper, the term `nanotubule' is used in a strictly structural sense for a one-dimensional polyhedral building unit with a cross section > 1 nm, whose wall encloses an axial cavity and is more strongly connected internally than to neighboring units [see e.g. Adelani (2025), and references therein]. The term does not imply an isolated or open-ended hollow fiber and it does not describe the external morphology of eveslogite, which is fibrous. The application of synchrotron radiation techniques to the crystal structure of yuksporite, a unique titanosilicate from the Khibiny alkaline massif on the Kola peninsula, Russia, led to the discovery of the first titanosilicate nanotubules (or nanorods) that had no precedents in both natural or synthetic materials (Krivovichev et al., 2004). It is noteworthy that silicate and titanosilicate minerals with nanotubular arrangements are unknown in current synthetic chemistry, but occur in nature in large (sometimes hundreds of kg) quantities in various geological settings such as the Khibiny massif on the Kola peninsula (denisovite, yuksporite) or the Murun massif in Yakutia (charoite, denisovite). Herein we report on yet another, so far only fragmentarily elucidated, nanotubule-based crystal structure of eveslogite, a complex Ca–Na–K–Ba–Sr–Ti–Nb–Fe–Mn silicate from Eveslogchorr mountain located in the Russian Arctic.

For the sake of easier readability, the most frequently used mineral names eveslogite, yuksporite, charoite and denisovite will be denoted by their International Mineralogical Association–Commission on New Minerals, Nomenclature and Classification (IMA–CNMNC) approved mineral symbols (abbreviations) Evl, Yks, Cha and Dnv, respectively (Warr, 2021).

In contrast to the earlier discoveries of nanotubules in minerals, Evl is absolutely unique, as it contains two types of (Ti, Nb, Fe, Mn)-modified silicate tubules and therefore can be considered as a binary nanotubule-based heterosilicate structure (or titanosilicate structure because of its overall Ti-dominance). The application of multiple modern electron crystallography techniques allowed us to reveal its amazing structural arrangement and to suggest possible mechanisms of its formation in nature through exfoliation processes, well established in the current fabrication methods of nanosheets and nanotubes from layered starting materials.

The mineral Evl has its type locality at Eveslogchorr mountain, Fersman-Gorge, Khibiny, Kola Peninsula, Russia. According to the present knowledge, this is the only occurrence of eveslogite. By external characteristics, the mineral is practically indistinguishable from Yks and forms fibrous aggregates of thin, flexible needle-like crystals [Fig. 1(a)]. It should be noted that Yks occurs not only at its type locality, the nearby Yukspor mountain, but also at various other places in the extensive rischorrite (poikilitic nepheline syenite) zone of the Khibiny massif, including Eveslogchorr mountain. It also occurs in the alkali pluton of the Murun Massif (Sakha, Yakutia, Russia) (Konev et al., 1985), where the related minerals Cha (Rogova et al., 1978) and Dnv (Men'shikov, 1984; Konev et al., 1987) were found as well. Yks is thus a relatively widespread mineral. Probably because of its relative abundance Yks had already been discovered in 1923 by E. E. Kostyleva (Fersman, 1923; Yakovenchuk et al., 2005), while the rare Evl was described only in 2003 (Men'shikov et al., 2003). It was consistently reported that Evl occurs as a late-hydro­thermal formation in veins breaching the aforementioned poikilitic nepheline syenite at Eveslogchorr mountain. A similar situation applies to Yks.

Figure 1 (a) A fibrous aggregate of mineral Evl from a monomineral vein in gneissose rischorrites of Eveslogchorr mountain. The length of the sample is 10 cm. Data from two untwinned crystals (b and f) were combined for the structure solution to increase the data completeness. Images of crystals and the sections through the diffraction data are shown: (b) crystal 1, (c) 0kl section, (d) h0l section, (e) hk0 section, (f) crystal 2, (g) 0kl section, (h) h0l section, (i) hk0 section. The grid of the unit cell is indicated in yellow.

The structure of both minerals could not initially be solved with the methods and instruments of X-ray diffraction analysis known and available at the time of their discoveries and initial description. Around the turn of the millennium, G. Ferraris and colleagues developed an approach that sought to derive model ideas for complex heterophyllosilicate structures from known metric relationships of modular building units (Ferraris & Gula, 2005). These authors suggested that both Yks and Evl were heterophyllosilicate structures of the astrophyllite family, i.e. based upon sheets of Ti octahedra (or semi-octahedra) and chains of Si tetrahedra. The solution of the crystal structure of Yks by means of synchrotron diffraction (Krivovichev et al., 2004) made it clear that it does not belong to the so-called heterophyllosilicate structures, but is composed of nanotubular or nanorod building units (see also the review on tubular chains in the structures of natural and synthetic silicates (Rozhdestvenskaya & Krivovichev, 2011). For Evl, the time for a final structure analysis had not yet come, however, doubts about the applicability of the modular approach to this case were increasing. In a comprehensive work by Ferraris & Gula (2005) the authors refer in a short paragraph about the modular model for the Evl structure (based on astrophyllite) to a personal communication of N. V. Chukanov, who had observed similarities between the IR spectra of Evl and Yks. This observation put the astrophyllite-based model by Men'shikov et al. (2003) in doubt, without having already provided a new improved model. All attempts to solve the structure of Evl by now conventional synchtrotron-radiation-based diffraction methods did not succeed. Intermediate successes in structure determination of similarly complex silicate structures occurring under closely related geochemical conditions using 3D ED (Rozhdestvenskaya et al., 2010; Rozhdestvenskaya et al., 2011) were encouragements to attempt structure solution of Evl using similar approaches. Below we show that, even if the suggestions made in (Men'shikov et al., 2003) about the nature of Yks and Evl did not match exactly, there is a certain degree of relationship between them and heterophyllosilicates in terms of imaginary exfoliation procedures.

2. Results

2.1. Data collection, unit-cell and space group determination

Many attempts were made to collect X-ray diffraction data on the Evl crystals using both in-house and synchrotron radiation sources. All the attempts failed due to the small size of the crystals, their intergrowth and/or twinning and their curved and fibrous morphology. 3D ED experiments were therefore essential. Many crystals (>50) were tested using the method of fast automated diffraction tomography (Fast-ADT) (Plana-Ruiz et al., 2020) and with PED on two different transmission electron microscopes (see Methods for details). Most datasets came from twinned crystals, but a few corresponded to untwinned crystals. The two best untwinned datasets [Figs. 1(b)–1(i)] were combined into a final dataset for subsequent structure analysis.

In the original publication (Men'shikov et al., 2003), based on powder diffraction data, the assigned space group was P2/m, with lattice parameters (after transformation from the monoclinic B-setting): a = 14.069 (3) Å, b = 44.31 (2) Å, c = 24.937 (5) Å, β = 95.02 (4)°, V = 15486 (13) ų. In variance with this estimate, our 3D ED data yielded a monoclinic cell with the parameters: a = 14.1898 (9) Å, b = 44.7704 (1) Å, c = 15.9111 (18) Å, β = 109.468 (4)°. This unit cell was used to fit the powder diffraction data. The Le Bail fit (Fig. S1) showed that this cell describes the bulk material very well. The unit cell refined against the powder diffraction data differed only slightly from the 3D ED cell, namely: a = 14.2358 (2) Å, b = 44.8239 (5) Å, c = 15.9058 (4) Å, β = 109.658 (2)°. As powder diffraction data usually yield more accurate unit-cell parameters than 3D ED data, we decided to use these cell parameters for subsequent analysis. The difference between our cell parameters and those reported in (Men'shikov et al., 2003) may cast doubt if our sample is really Evl. However, the identity of the material studied in this work as Evl is ensured by the use of the holotype sample and by the good agreement of the X-ray powder diffraction pattern of the sample (Fig. S1) with that reported by Men'shikov et al. (2003). The discrepancy in unit-cell parameters can be explained by the severe twinning that is characteristic for Evl. In twinned crystals, reflections from the two twin domains overlap and obscure the true lattice, making unit cell determination highly challenging. We found that diffraction data from twinned crystals can be indexed using a cell very similar to that reported in the original work, whereas analysis of a rare untwinned crystal revealed the true unit cell.

The reflection conditions extracted from the data were 0k0: k = 2n. Reflections of the type h0l: h = 2n+1 were much weaker than reflections with h = 2n in the h0l plane, indicating a possible presence of an a glide. However, reflections with h = 2n+1 are weaker than h = 2n in the entire dataset due to the presence of a twofold superstructure along a. A careful evaluation of the reflection intensities led us to discard the possibility of an a glide in the structure of Evl. Hence, the two possible space groups consistent with the observed reflection conditions were P2₁ and P2₁/m. The structure solution (see below) showed unequivocally that the mirror plane is not present in the structure, and the correct space group for Evl is thus P2₁.

2.2. Structure analysis

Structure determination for Evl was performed with JANA2020 (Petříček et al., 2023) based on datasets evaluated by PETS2 (Palatinus et al., 2019) that showed no twinning. The details of the structure determination and refinement are summarized in Table 1. The structure was solved by the charge flipping algorithm (Palatinus, 2013) using the program SUPERFLIP (Palatinus & Chapuis, 2007). The solution was checked for the presence of symmetry elements and the presence of a mirror plane in the structure could be excluded. The space group P2₁ was confirmed by the analysis of the solution. The structure refinement was performed using the kinematical theory of diffraction (kinematical refinement), and converged at a residual wR(all) value of 28.54%. Due to the complexity of the structure and the kinematical approximation used in the refinement, restrictions had to be applied to stabilize the structure model. All ADPs were refined isotropically and constrained to be equal for atoms of the same species. They converged at reasonable values with the K positions having the highest U_iso values of 0.0223 Ų. Si–O bond lengths were restrained to a target value of 1.61 Å using a restraint standard uncertainty σ = 0.01 Å in JANA2020. This σ controls the restraint weight and is not the standard deviation of the refined Si–O bond length distribution.

Table 1
Crystallographic information about eveslogite and information about the structure analysis

The reflection count refers to merged reflections with observed reflections having I/σ > 3. The reflection/parameter ratio is based on all reflections

Sum formula	K17.5(Ba,Sr)4(Na,Ca)40[(Ti,Nb,Fe,Mn)11Si62O179(OH,F)12(O,OH)13](H2O)
Composition	K17.5Ba1.848Sr2.152Na11.909Ca28.091Ti6.7Nb1.6Fe1.7Mn1.0Si62O200F5Hn
a (Å)	14.2359	Kinematical refinement
b (Å)	44.8242	No. of reflections	54790 = 30466 + 24324
c (Å)	15.9058	Reflection/parameter ratio	51.45
α (°)	90	GOF(obs) (%)	3.23
β (°)	109.658	GOF(all) (%)	2.58
γ (°)	90	R(obs) (%)	19.91
Z	2	R(all) (%)	24.99
Unit-cell volume (Å^3)	9558.079744	wR(obs) (%)	27.33
Space group	P21	wR(all) (%)	28.54
Density (g cm^−3)	2.8435

Fig. 2(a) shows the resulting crystal structure of Evl in projection along the a axis. The unit cell contains 345 independent atom positions. The skeleton of the structure consists of 62 SiO₄ tetrahedra in the asymmetric unit, which condense into three-periodic extended silicate chains and fold up to form two different kinds of tubules, designated Yk (yuksporite-like tubule) and Ch (charoite-like tubule), running parallel to [100] [Fig. 2(b)]. Adjacent to the tubules, there are 18 polyhedra, four of which contain highly scattering species that were attributed to mixed-occupancy Ba/Sr sites and the remaining fourteen were interpreted as K atoms. The occupancies of the Ba/Sr positions were freely refined. Additionally, seven K atoms at 0.5 occupancy were located in the interior of the tubules. Two octahedra of the Ch tubule are occupied by Ti/Nb. The refinement of their occupancies showed a slight preference for Nb on both sites. The other tubule, Yk, contains eight (Ti,Nb,Fe,Mn)O₆ octahedra, which are referred to as MO₆ in the following. The occupancies of the M positions could not be refined reliably. The ratio of metal ions in these positions was therefore fixed according to the average chemical composition estimated from multiple energy-dispersive X-ray spectoscopy (EDS) analyses. These EDS measurements should be regarded as semi-quantitative and provide only an estimate of the average cation ratios present in the material. Nevertheless, in the absence of a stable refinement of these occupancies and given the lack of alternative site-specific chemical information, the average EDS composition provided the most chemically reasonable basis for constructing the structure model. After correction for the Nb/Ti occupancy in the octahedra of the Ch tubule, leading to an occupancy for each M position of 0.740, 0.048, 0.134 and 0.079 for Ti, Nb, Fe and Mn, respectively. A similar procedure was followed for the (Fe,Mn)O₅ square pyramid in the interior of the Yk tubule, where the occupancies were set to 0.63 and 0.37 for Fe and Mn, respectively, based on the average semi-quantitative chemical data. The Yk and Ch tubules are interconnected by 40 independent (Ca,Na)O_x polyhedra that form ribbons parallel to [100]. The occupancies of Ca and Na in these polyhedra could be refined. In 14 positions the refinement indicated a position fully occupied by Ca, three positions refined to full occupation by Na. Overall, 30 (Ca,Na)O_x polyhedra are Ca dominant and ten Na dominant.

Figure 2 The crystal structure of eveslogite (Evl). (a) The projection of the full crystal structure along the a axis. (b) The projection of the crystal structure along the a axis showing only the tubules in polyhedral representation. (c) The scheme illustrating packing of the tubules.

The complexity of the Evl structure necessitated the use of several constraints, restraints and chemically informed assumptions during refinement. A summary of the refinement strategy is provided in Table 2. While all atomic positions were refined against the diffraction data, several occupancies and displacement parameters required additional constraints to obtain a chemically reasonable and stable model. Detailed bond lengths, mixed site occupancies and hydrogen placement should therefore be interpreted cautiously.

Table 2
Overview of refined, constrained, restrained and inferred parameters in the Evl structure model

Structural parameter	Treatment	Structural parameter	Treatment
Unit-cell parameters	Refined from powder diffraction data	Ti/Nb/Fe/Mn occupancies in Yk tubule	Fixed based on average composition
Space group	Determined via 3D ED	(Fe,Mn)O5 occupancy	Fixed based on average composition
Atomic coordinates	Refined	Si–O distances	Restrained to 1.61 Å (σ = 0.01 Å)
Ba/Sr occupancies	Refined	H/OH/F locations	Not refined, based on crystallo-chemical analysis and charge balance
Ca/Na occupancies	Refined	Uiso values	Refined isotropically with one common Uiso value per atom species
Ti/Nb occupancies in Ch tubule	Refined

The kinematical refinement converged at a residual wR(all) value of 28.54%. Although this value is higher than typically reported for 3D ED structures, it should be considered in the context of the exceptional complexity of the structure. The unit cell contains 345 independent atom positions with a volume of 9558.1 ų, making full dynamical refinement computationally prohibitive. Consequently, no dynamical refinement was attempted, as the required computational resources and calculation times were beyond practical limits for a structure of this size and complexity. Furthermore, EDS analyses revealed significant compositional variations between individual crystals (see Section 2.4). The refined model therefore represents an average structure with average site occupancies rather than the exact local composition of any single crystal. Despite the relatively high wR(all), the refined structure is consistent with the features observed in the HAADF STEM images (see Section 2.5) and provides a satisfactory description of the powder diffraction data, as demonstrated by the Le Bail fit (Fig. S1).

2.3. Major structural details of the Evl structure

Two of the essential building blocks that make up the Evl structure are heterosilicate tubules of the two types, Yk and Ch, oriented parallel to the a axis and occurring in a 1:1 ratio. The dominant heteroatom in the Yk tubules is Ti, while the Ch tubules are moderately Nb dominant. It should be noted that the analyses show that the Nb content seems to vary significantly from one crystal to another and therefore the results should be considered with due caution. The packing of the tubules is shown schematically in Fig. 2(c). The tubules are linked through octahedrally coordinated Ca²⁺ and Na⁺ cations located in-between them. The same general structural building principle is realized in the related minerals Cha, Dnv and Yks.

An essential building unit of both types of tubules are double or triple dreier silicate chains (that is, with three corner-sharing SiO₄ tetrahedra within their identity periods (Liebau, 1985), containing branches. The periodicity of the chains expresses itself in the lattice parameter of ∼7.1 Å, or ∼14.2 Å if subject to the formation of a superstructure.

The charoite-like tubules Ch [Figs. 3(a), 3(b), 3(g)] of Evl differ from those observed in Cha (Rozhdestvenskaya et al., 2010; Rozhdestvenskaya et al., 2011) and Dnv (Rozhdestvenskaya et al., 2017) [Figs. 3(c), 3(d), 3(h)] essentially. The Ch tubule in Evl can be obtained from that of Cha by replacing every third SiO₄ tetrahedron in one of the dreier silicate chains by a NbO₆ octahedron and attaching external [Si₂O₇]⁶⁻ groups that link each NbO₆ octahedron with its respective neighbors along the chain extension. The Ch tubule thus obtains a pear-shaped cross section with outer dimensions of about 1.2 nm × 1.4 nm. Similar to zeolites (Yu et al., 2024), the free inside dimensions of the tubule can be estimated from the nearest non-bonded O⋯O distances across the internal space of the tubule minus 2 × r(O²⁻) adding up to ∼2.8 × 2.0 Ų. This is large enough to accommodate K⁺ and Na⁺ cations, or maybe even allow for the possibility of ionic exchange reactions. The chemical composition of Ch can be expressed as [(MO)(Si₂φ₇)(Si₁₁φ₂₉)], where φ = O, OH and M = Nb, Ti. Despite the evident similarity of the Ch tubule with the corresponding basic ones in Cha and Dnv, it is a new structural motif, which has not been observed previously in any mineral or synthetic compound.

Figure 3 Nanoscopic tubular building units in eveslogite (Evl) compared to charoite (Cha). (a) Cross section of the charoite-like tubule (Ch) in Evl shown in ball-and-stick representation. (b) Cross section of the Ch tubule in Evl shown in polyhedral representation. (c) Cross section of the tubule in Cha shown in ball-and-stick representation. (d) Cross section of the tubule in Cha shown in polyhedral representation. (e) Cross section of the yuksporite-like tubule (Yk) in Evl shown in ball-and-stick representation. (f) Cross section of the Yk tubule in Evl shown in polyhedral representation. (g, h, i) Side views of the Ch tubule in Evl, Ch tubule in Cha, and Yk tubule in Evl, respectively.

The Yk tubule in Evl [Figs. 3(e), 3(f), 3(i)] is topologically concordant to the tubule found in Yks (Krivovichev et al., 2004) and also has an elliptical cross section. It is confined by two bow-shaped unbranched dreier double silicate chains at the opposite ends of the long diameter of the ellipse. The area in between is marked by a stacking of MO₆ octahedra (M = Ti⁴⁺, Nb⁵⁺, Fe³⁺, Mn²⁺, see above), which are located at the corners of a cube-like orthorhombic prism (`M-cube') [Figs. 3(e), 3(f), 3(i)]. The MO<sub>6</sub> octahedra are interconnected by two differently oriented symmetrically independent [Si<sub>2</sub>O<sub>7</sub>]<sup>6−</sup> diorthosilicate groups. The `vertical' groups are oriented parallel to the tube axis and located at the opposite ends of the short diameter of the ellipsis. These groups are connected with MO₆ octahedra only and lie at the exterior of the Yk tubule. The [Si₂O₇]⁶⁻ groups of the second kind are `horizontal' and wrapped in the interior of the nanotubules parallel to the short axis of the ellipse. Along the tube axis, two consecutive horizontal [Si₂O₇]⁶⁻ groups have alternating up and down orientations of their tetrahedra. Their apical oxygens face each other, leading to the formation of a square-planar coordination around a (Fe,Mn) cation at the center of the cross section. An additional oxygen roughly perpendicular to the square completes the square-pyramidal coordination around (Fe,Mn). The (Fe,Mn)–O_apical (possibly H₂O, see below) vector determines the polarity in the polar space group P2₁ of Evl. The up and down inward orientations of the horizontal [Si₂O₇]⁶⁻ in a given M-cube impose reversed order of the up and down orientations of the tetrahedra in the adjacent M-cubes. As a result, these M-cubes cannot contain (Fe,Mn)O₅ groups, but remain empty. This arrangement is the crucial reason for the formation of the superstructure with doubled lattice parameter a in Evl (14.2359 Å) compared to that of Yks (7.1260 Å), where all horizontal [Si₂O₇]⁶⁻ groups have the same arrangement of ups and downs in their respective M-cubes. The (Fe,Mn) positions in the filled M-cubes of Evl are fully occupied and the unfilled ones are empty, whereas all the M-cubes of Yks are evenly filled, albeit with reduced occupancy. The outer dimensions of the Yk tubule are ∼1.8 nm × 1.5 nm, whereas its two internal compartments have their crystallographic free diameters of ∼2.9 Å × 4.5 Å, which allows for the accommodation of K⁺ cations.

The binary nanotubule-based structure observed for Evl is unprecedented among any known minerals or synthetic inorganic compounds.

2.4. Chemical composition and crystal chemical formula

EDS measurements of Evl crystals were performed at the TEMs as well as employing electron microprobe analysis (EMPA). These methods provide semi-quantitative compositions. The mineral contains a large variety of elements, mainly Si, Ca, Na, K, Ti but also to a lesser extent Sr, Ba, Fe, Nb and Mn (Table 3). Some crystals contained small amounts of F and Cl as well. Oxygen is an essential framework constituent by stoichiometry, whereas hydrogen could not be measured directly. The compositional range for different crystals was rather large with the Ca content ranging from 24.1 to 37.4 atoms per formula unit (apfu), the Na content from 10.0 to 22.1, the K content from 12.3 to 21.1, and the F content ranging from 0.0 to 11.3 apfu (Table 3). Other elements like Sr or Fe, however, showed only little variation. Where site occupancies could not be stably refined during structure analysis, the average chemical data were used. The empirical composition normalized to Si = 62 can be written as K_17.50Ba_1.85Sr_2.15Na_11.91Ca_28.09Ti_6.70Nb_1.60Fe_1.70Mn_1.00Si₆₂O₂₀₀F₅H_n and the structure based idealized formula is K_17.5(Ba,Sr)₄(Na,Ca)₄₀[(Ti,Nb,Fe,Mn)₁₁Si₆₂O₁₇₉(OH,F)₁₂(O,OH)₁₃](H₂O). Because H and the detailed O/OH/F partitioning were not measured directly, the latter should be regarded as a model formula. The empirical chemical formula corresponds to the calculated density of 2.84 g cm⁻³. The original IMA formula (Men'shikov et al., 2003) was (Ca,K,Na,Sr,Ba)₂₄[(Ti,Nb,Fe,Mn)₆­(OH)₆Si₂₄O₇₂](F,OH,Cl)₇. The re-calculation of the chemical data given in the original study of Evl (24) to Si + Al = 62 results in the empirical formula K_15.91Rb_0.21Ba_1.65Sr_2.33Na_13.02Ca_29.19Ti_7.18Nb_4.34Fe_1.34Mn_1.24Zr_0.26Ta_0.10(Si_61.43Al_0.57)O_180.01(OH)_26.66F_12.60Cl_1.03. Grouping comparable site populations provides (K,Rb)_16.12(Ba,Sr)_3.98(Na,Ca)_42.21(Ti,Nb,Fe,Mn,Zr,Ta)_14.46(Si,Al)₆₂O_180.01(OH)_26.66F_12.60Cl_1.03. The comparison of the two formulas shows good agreement for the major cation populations, particularly the (Ba,Sr) and (Na,Ca) groups, whereas larger differences are observed for the transition metals and the volatile anions (F, OH, Cl). These differences may reflect crystal-to-crystal heterogeneity, differences in analytical methodology and the limited ability to directly constrain H/OH/F partitioning. Nevertheless, the overall chemical characteristics are comparable and both studies yield very similar calculated densities of 2.85 g cm⁻³ and 2.84 g cm⁻³, respectively. Thus, despite differences in some minor constituents, the present chemical data are broadly consistent with the original description of Evl.

Table 3
Chemical composition of eveslogite (in atoms per formula units, apfu) normalized to 62 Si atoms in the structure

Oxygen is assigned by stoichiometry and hydrogen was not measured.

Element		Ca	Na	K	Ba	Sr	Ti	Nb	Fe	Mn	Si	F	Cl
Range	min	24.1	10.0	12.3	0.9	2.0	5.0	0.7	1.3	0.8	62	0	0
	max	37.1	22.1	21.1	3.3	3.4	8.5	3.3	2.5	1.5		11.3	2.4
Average		28.5	13.3	15.6	2.0	2.6	6.7	1.6	1.7	1.1	62	3.0	1.0

2.5. HAADF imaging

The Evl structure model was compared with a filtered HAADF image. The image is oriented along [100] and shows the different tubules [Fig. 4(a)]. By superimposing the model onto the HAADF image it can be seen that the atom positions agree very well [Fig. 4(b)]. Minor discrepancies in atom positions could be attributed to a slight sample mis-tilt relative to the electron beam during the acquisition of the image. To compare the atom species, HAADF simulations were performed with the obtained structure model [Fig. 4(d)]. They agree well with the intensity distribution of the HAADF image [Fig. 4(c)]. The bright cross-like structure that can be seen in the HAADF is caused by the M-cube and another bright spot located close to the tubular structure is caused by a (Ti,Nb) position. Minor discrepancies remain for some of the Ca/Na columns, for example, the Ca-dominated columns linking the Yk and Ch tubules, which appear slightly weaker in the experimental HAADF image than in the corresponding simulation. In the structure model, these positions were refined as fully occupied Ca sites and therefore contribute comparatively strongly to the simulated image. Because the HAADF image and the 3D ED datasets were acquired from different crystals, local enrichment of Na at these sites cannot be excluded. Such partial Ca/Na substitution would reduce the observed intensity in the simulated image.

Figure 4 HAADF image analysis of the eveslogite (Evl) structure. (a) Filtered HAADF STEM image of Evl along the a axis. (b) and (c) Zoomed in view overlayed with the structure model of Evl. The atom positions match nicely. (d) Simulated HAADF image based on the determined Evl structure. Si is displayed in dark blue, K in purple, Ba in light green, Sr in dark green, Ca in blue-gray, Na in yellow, Ti in light blue, Nb in pink, Fe in orange, Mn in magenta, O in red, F in gray and H in white.

2.6. Provisional H, OH, F and H₂O assignments

Due to the inherent limitations of the data quality, it was not possible to determine hydrogen positions directly from the diffraction data. Furthermore, no complementary FTIR, Raman or EELS measurements were available to provide additional information on the distribution of F and OH groups. While such techniques may provide evidence for the presence of hydroxyl groups, they generally do not permit an unambiguous assignment of H atoms to specific crystallographic sites in a structure of this complexity. Moreover, as compositional variations were observed along individual crystals, corresponding variations in the distribution of H and F are also likely. Therefore, the possible protonation of O sites was evaluated on the basis of crystal chemical arguments. In silicate structures, O atoms that bridge two tetrahedrally coordinated cations (e.g. Si–O–Si) or a tetrahedral and octahedral cation (Si–O–M) generally function as framework-linking anions and are typically fully saturated within the structure. Protonation of such bridging O atoms would lead to unfavorable local bonding environments and is therefore was considered unlikely. Consequently, the 66 O atoms bridging two Si sites and the 53 O atoms bridging Si and M sites were excluded as potential OH groups. A similar argument applies to the 42 terminal O atoms of SiO₄ tetrahedra, which are additionally bonded to three Ca/Na sites, as well as ten terminal O atoms of MO₆ octahedra that are not bonded to Si. These O atoms already receive sufficient bond-valence contributions from surrounding cations and are therefore unlikely candidates for protonation. The most plausible protonation sites are O atoms with relatively low bond-valence requirements that are coordinated only by Ca/Na polyhedra or by a limited number of framework cations. These include 12 O atoms bonded exclusively to three Ca/Na sites and thirteen apical O atoms of SiO₄ tetrahedra coordinated by two Ca/Na polyhedra. Such environments can readily accommodate OH groups without introducing unreasonable local bonding geometries. In addition, the apical O atom of the (Fe,Mn)O₅ square pyramid inside the Yk tubule has only one strong bond to the central cation and can accommodate two H atoms. This site is therefore interpreted most plausibly as an H₂O molecule. Based on the refined occupancies, the crystal structure of Evl has a charge deficit of −26.5 if all anion sites are assumed to be O²⁻. The 26 candidate protonation sites identified above compensate this deficit almost exactly when occupied by H. A further consideration concerns F incorporation. Five of the candidate anion sites coordinated only by Ca/Na polyhedra are located in environments where hydrogen bonding is geometrically unfavorable because of the close proximity of surrounding cations. These sites therefore represent the most plausible locations for F⁻ rather than (OH)⁻ anions. Thus, the proposed distribution of O, OH, F and H₂O derived from the crystal chemical analysis of the structure model combined with the determined chemical composition shows that the model is compatible with the requirement of electroneutrality. Bond valence calculations were performed for the refined structure (Table S1), but they did not provide sufficient discrimination between alternative O/OH/F assignments and were therefore used only as a consistency check. This observation further strengthens the reliability and consistency of the refined structure.

2.7. Twinning

During the data evaluation, it was noted that besides a couple of single crystal datasets [Figs. 5(a), 5(b)], a significant number of datasets showed a distribution of intensities that could not be reasonably explained by a single reciprocal lattice [Figs. 5(d), 5(e)]. The distribution of the spots was symptomatic of twinning. Indeed, the diffraction spots could all be indexed by two identical cells with different orientation matrices. The twinning is visible in the a*c* plane. The a* vector points to two directions, while the b* and c* vectors of the two lattices overlap. The reflections of the two lattices overlap when h = 4n. The twinning can be described by the twinning matrix [1 0 0 / 0 1 0 /  0 1]. The twin domains are related by a 180° rotation about the a axis, corresponding to a simple rotational twin law in the monoclinic system. The matrix for a twofold rotation about a is given by [1 0 0 / 0 1 0 / (2ccosβ)/a 0 1] (Koch, 2006). The use of the determined unit-cell parameters leads to the value of −0.747 for the (2ccosβ)/a term, which matches closely with the extracted matrix, confirming the rotation as a plausible twinning mechanism. It should be noted that a mirror plane as an alternative twinning operator would result in an equivalent diffraction pattern. Nevertheless, in real space, these two operations are not equivalent, as the structure lacks an inversion center. Structural modeling showed that the rotated twin produced a slightly better match at the interface and therefore only this twinning mode is described in the following. Nevertheless, the possibility of mirror-related twinning cannot be excluded.

Figure 5 Twinning in Evl. TEM images of crystals and sections through diffraction data are shown: (a) untwinned crystal, (b) h0l section of an untwinned crystal. (c) Schematic projection of the crystal structure of an untwinned crystal of Evl. (d) Twinned crystal, (e) h0l section of a twinned crystal. (f) The scheme of twinning of Evl with two twin components related by a twofold rotation around the a axis. The red and black arrows show the orientations of the Fe–H2O and Nb–O bonds, respectively; the black ellipse indicates a twofold axis acting as a twin operator; the blue dashed line shows the border between different twin domains related by the twofold axis parallel to the a axis.

In the structure, the twinning is realized as planar stacking faults, as documented by HRTEM (Fig. S2). The structural nature of twinning can be understood, taking into account polarity of both type of nanotubules. In the Ch nanotubule, the NbO₆ octahedra have five of their vertices shared with SiO₄ tetrahedra, whereas the sixth vertex is pending. The respective Nb-O bond is oriented outward with respect to the tubule. For the Yk tubule, it was mentioned above that its polarity is determined by the presence of the Fe–H₂O bond in the tubule interior. Fig. 5(c) shows the scheme of packing of tubular building units in eveslogite with orientations of the Fe–H₂O and Nb–O vectors. Assuming that the twinning operator is the twofold rotation around the a axis, it is easy to recognize that the twinning operation changes the orientations of the vectors into opposite directions [Fig. 5(f)]. Thus, the twinning involves rotation of tubules around their axes and formation of domains with different polarity directions. For twinning by a mirror plane, the polarity would be preserved.

3. Discussion

The determined structure of Evl revealed that it belongs to chain-, ribbon- and tube-silicates (Day & Hawthorne, 2020), sharing similarities with Yks, Cha and Dnv. The successful structure elucidation suspends earlier conjectures (Men'shikov et al., 2003; Ferraris & Gula, 2005) that Evl might be a heterophyllosilicate of the astrophyllite-type, that is, a silicate based upon layers of SiO₄ tetrahedra and MO₆ octahedra. Our findings rather support an idea expressed in (Day & Hawthorne, 2020) that the structure of Evl bears a certain similarity with that of Yks, however, only up to a certain point, since the structure of Evl contains Ch in addition to Yk tubules. This unique architecture (binary nanotubule-based heterosilicate structure) may have its roots in the genetic mode of the mineral that may involve secondary crystallization from colloidal solutions formed due to the alteration of primary silicate minerals such as apophyllite, astrophyllite and lamprophyllite. The relation of Evl (and Yks) to the latter minerals can be demonstrated by the topological analysis of the tubules and layers using their nodal representation. Within this approach, each coordination polyhedron is symbolized (replaced) by the node, and the adjacent nodes are linked by an edge if the respective polyhedra share a common anion (Krivovichev, 2005). The nodal representations of nanotubules in Evl and Cha are shown in Fig. 6.

Figure 6 Topological analysis of the nanoscopic tubules in eveslogite (Evl) and charoite (Cha) by means of a nodal representation. The topologies of the yuksporite-like tubule (Yk) (a) and charoite-like tubule (Ch) (b) in Evl, as well as the tubule in Cha (c). (d, e, f) The bands corresponding to the topologies shown in (a, b, c), respectively. (g) The topology of the titanosilicate sheet in lamprophyllite. (h) The topology of the silicate sheet in apophyllite and feldspar-group minerals. The scissors indicate the edges that have to be cut in order to transform tubules into bands. The orange circles indicate points that have to be glued together in order to transform bands back to the tubules.

In order to get an idea of the underlying topology of the Ch tubule in Evl, it can be cut open along the tube axis [Fig. 6(b)] and unfolded into a plane resulting in a band [Fig. 6(e)], which is periodic along the tube axis but of finite width across the band. There are six four-membered rings and six eight-membered rings in the repeat unit (4⁶8⁶). Additionally, there are extended chains of six-membered rings (62) that consist of two opposed M octahedra, two [Si₂O₇]⁶⁻ groups and two SiO₄ tetrahedra of the adjacent dreier triple chain of the (4⁶8⁶) unit. The (4⁶8⁶) and (6²) sub-graphs differ topologically but they are non-disjunct; their intersection cannot be cut open and unfolded into a common, topology preserving band. A possible graph symbol for the combined Ch tubule in Evl is (4⁶8⁶);(6²). The (6²) part acts as a sort of exoskeleton since it prevents the (4⁶8⁶) from unfolding. The comparison of the topology of the Ch tubules in Evl with that of the silicate tubules in Cha itself [Figs. 6(c), 6(f)] shows that the latter can be described as (4³8³) (therefore, the same as in Evl but with halved the identity period) and no external exoskeleton.

Similar to the Cha case, the circumference of the Yk tubule [Fig. 6(a)] can be constructed from four-, six- and eight-membered rings and given the symbol (4¹²6⁸8⁴) [Fig. 6(d)]. Unlike the case of the tubular chain discussed earlier, there are no outward building units, but complex inward ones. These are confined to two consecutive M-cubes, one occupied by a (Fe,Mn)O₅ square pyramid and the adjacent ones being empty [Fig. 3(i)]. Each M-cube contains two horizontal [Si₂O₇]⁶⁻ groups crossing the nanorod axis. Searching for rings in the nodal representation via visual inspection led to around 37 different rings with orders 1 [for (Fe,Mn)–O_apical (or H₂O)], 3, 4, 7, 8, 10 or 12, thus practically excluding an easy and intelligible graph representation for this partial structural unit and for the nanorod in its entirety.

The analysis of the topologies of the bands that serve as flat 1D prototypes for the tubules in Evl indicates that both can be considered as a combination of 1D bands cut out from the two 2D topologies shown in Fig. 6(g) and H. These topologies are specific for the crystal structures of the layer- and framework-based minerals that occur in association with Evl. In particular, the topology shown in Fig. 6(g) describes the topology of the {(TiO)[Si₂O₇]}⁴⁻ layer in the crystal structure of lamprophyllite, (SrNa)Ti₂Na₃Ti(Si₂O₇)₂O₂(OH)₂ (Krivovichev et al., 2003), which was found in association with Evl. In fact, we have observed in our sample a needle of Evl emanating from a small brownish-yellow plate of lamprophyllite. The topology shown in Fig. 6(h) serves as an underlying band for the tubules in Cha and (partially) for the Ch tubules in Evl. The [Si₂O₅]²⁻ layers of this topology occur in the crystal structures of many minerals, including those found in alkaline massifs. For instance, single layers of this topology are present in the crystal structures of the Khibiny minerals shlykovite and cryptophyllite (Pekov et al., 2009), whereas double layers have been observed in delhayelite, hydro­delhayelite and fivegite, minerals that have been either observed or discovered in the Khibiny massif (Pekov et al., 2010; Pekov et al., 2011; Pekov et al., 2012). In addition, the layers of this topology are parts of the feldspar topology and we note that K-feldspar occurs in association with both Yks and Evl. The topological similarity and close relationships between the 2D structures of associated minerals and the nanoscale tubules in Evl suggest possible structural links between layered silicate architectures and nanotubular motifs. One possible interpretation is that the nanotubules formed through transformation processes involving pre-existing layered silicates. Such transformations bear a resemblance to exfoliation and subsequent scrolling-based routes for the artificial fabrication of inorganic nanotubes under hydro­thermal conditions (Smith et al., 2011). In some aspects, this scenario is similar to the production of carbon nanotubes from graphene layers that, in some particular cases, results in the formation of microcrystals consisting of carbon nanotubes (Schlittler et al., 2001). It is quite probable that a similar process is at work in natural mineral systems. However, the available data do not provide direct evidence for such a mechanism in the case of Evl. An alternative possibility is that 2D structural fragments formed directly in hydro­thermal (or colloidal) solutions and subsequently curled into nanotubules that later assembled into a periodic three-dimensional framework over geological timescales. The two scenarios differ in the source of the 2D prototypical units for the formation of nanotubules that can be formed either from primary minerals during their exfoliation or in secondary solutions at the last stage of hydro­thermal activity. At present, both scenarios remain speculative.

Information-based complexity calculations show that Evl belongs to the class of very complex minerals, being on the seventh place in complexity among ∼6000 mineral species known so far (Krivovichev, 2013; Krivovichev et al., 2022). Table 4 provides some crystallographic and complexity parameters for Cha, Dnv, Yks and Evl. The extreme complexity of Evl is of double origin: first, due to its binary nanotubule-based character (the presence of two different nanoscale tubules in the same structure) and, second, due to the formation of double superstructure along the a axis (direction of the tubule extension), induced by atomic ordering inside the Yk tubules (see above).

Table 4
Crystallographic and structural complexity parameters for minerals based on nanotubules

The unit-cell parameter along the tubule extension is given in bold.

Mineral name	Charoite		Denisovite	Yuksporite	Eveslogite
Chemical formula†	(K,Sr,Ba,Mn)15-16(Ca,Na)32[Si70(O,OH)180](OH,F)4·nH2O		K14+x(Ca,Na,Mn,Fe)48[Si60O162]F16(Ox,OH4–x)·2H2O	K4(Ca,Na)14(Sr,Ba)2(Mn,Fe)(Ti,Nb)4(O,OH)4(Si6O17)2(Si2O7)3(H2O,OH)3	K17.5(Ba,Sr)4(Na,Ca)40[(Ti,Nb,Fe,Mn)11Si62O179(OH,F)12(O,OH)13](H2O)
Space group	P21/m		P21/a	P21/m	P21
a (Å)	31.96	32.11	31.024	7.126	14.24
b (Å)	19.64	19.77	19.554	24.913	44.82
c (Å)	7.09	7.23	7.1441	17.075	15.91
β (°)	90.0	95.85	95.99	101.89	109.66
V (Å^3)	4450	4566	4310	2966	9558
IG (bit/atom)	6.502		6.392	5.944	8.480
IG,total (bit/atom)	2119.685		2083.685	1379.052	6054.453

†The chemical formula approved by the International Mineralogical Association (IMA).

Finally, it is noteworthy that the mineral species listed in Table 4 as well as some other very complex silicate minerals discovered in alkaline massifs (Zolotarev et al., 2020) have no synthetic analogs. The example of Evl shows not only that mineralogy has an enormous potential to discover structures unprecedented among the currently known synthetic materials but also to serve as an inspiration for the fabrication of novel materials with unique structures and possibly functional properties (Bindi et al., 2020).

4. Materials and methods

4.1. Experimental design

The experiments performed in this paper were aimed at solving the structure of eveslogite, one of the most complex inorganic compounds on Earth. Because of the small size of the crystals and their intricate twinning, X-ray diffraction methods were not applicable. Instead, 3D ED was used for the data collection (Gemmi et al., 2019). With this method, it was possible to avoid the twinning and to acquire data from single nm-sized crystals. HAADF-STEM was used to verify the structure and EDS was used to gain information about the elemental composition.

4.2. Materials

The material used in this study was from the original holotype specimen found by Men'shikov et al. (2003) in the Khibiny alkaline massif. A sample of eveslogite was donated to W. Depmeier by I. V. Rozhdestvenskaya, who had received it from V. N. Yakovenchuk. This sample was then given to U. Kolb and E. Buchsteiner. Around the same time, an independent sample (also from V. N. Yakovenchuk) was handed over by S. V. Krivovichev to M. Klementova and L. Palatinus. In 2020 the two groups decided to combine their forces and efforts to pursue a common goal. The eveslogite crystals are light brown in color and have a fibrous morphology. For powdered samples, some fibers were mortared, suspended in iso­propanol and sprayed onto a carbon coated Cu grid with the help of an ultrasonic device. Additionally, three thin-foil samples were prepared via focused ion beam microscopy (FIB).

4.3. Methods

At JGU Mainz, transmission electron microscopy (TEM) investigations were performed with a FEI Tecnai F30 (Eindhoven, Netherlands) (300 kV). A 4k × 4k CCD camera [Ultrascan 400 from Gatan (Pleasanton, CA, USA)] and a tomography sample holder from E. A. Fischione Instruments Inc. (Export, PA, USA) were used. Electron beam precession was applied via DigiSTAR from NanoMEGAS (Brussels, Belgium).

For 3D ED measurements, the method of automated diffraction tomography (ADT) (Mugnaioli et al., 2009) was applied by using a Fast-ADT measurement routine in STEM mode (Plana-Ruiz et al., 2020). ADT was performed in nano-beam mode, which allowed for a quasi-parallel beam setting up to 20 nm. In order to acquire an ADT dataset, a tracking file of the crystal was recorded, serving as reference images. Then the electron beam was placed at the region of interest with a size between 50 and 200 nm and a tilt series of diffraction patterns was recorded in 1° tilt steps. In order to reduce dynamical effects, a precession angle of 1° was used. In this case the datasets were recorded with a tilt range of −60° to +60°, a beam size of 120 nm, a camera length of 1 m and an exposure time of one second per frame.

At FZU Prague, 3D ED measurements were performed on an FEI Tecnai G2 20 (LaB6, 200 kV) equipped with a NanoMEGAS precession unit DigiSTAR, an Olympus SIS CCD camera Veleta (2048 × 2048px), and an EDAX windowless EDX detector Apollo XLTW. The sample was crushed under ethanol in an agate mortar. A drop of very dilute suspension was placed on a holey-carbon-coated Cu grid and allowed to dry by evaporation at ambient temperature.

The 3D ED data were collected by means of precession electron diffraction tomography (PEDT) (Kolb et al., 2007; Kolb et al., 2008) using a cooling holder at −177°C. About 40 crystals were screened for twinning by fast scan with a tilt step of 5° from −20 to +20°. Crystals without twinning (or with unequal twin individuals) were selected for detailed data collection. Each crystal was sequentially tilted by the step of 0.5° from −60° to +60° (depending on the crystal position on the grid the tilt range was slightly different for every crystal), and at every tilt step a precession diffraction pattern in microdiffraction mode was acquired using a precession angle of 0.7°.

The data processing was carried out in the eADT (Kolb et al., 2012) and PETS2 software (Palatinus et al., 2019), including the correction of optical distortions (Brázda et al., 2022). Datasets from two crystals with a slightly different orientation were merged to increase the data completeness (Fig. 1). Structure solution and kinematical refinement were performed in the computing system JANA2020 (Petříček et al., 2023). The structure was solved by the charge flipping algorithm using the program SUPERFLIP (Palatinus & Chapuis, 2007).

HRTEM was carried out on an FEI Tecnai TF20 X-twin microscope operated at 200 kV (FEG, 1.9 Å point resolution) equipped with an EDAX energy-dispersive X-ray (EDX) detector. HRTEM images were recorded on a Gatan UltraScan CCD camera with resolution of 2048 × 2048 pixels using the Digital Micrograph software package.

Chemical composition was measured on the monomineral bulk sample as well as on individual microcrystals using EDS. The following setups were used:

(1) an FEI Tecnai TF20 X-twin microscope operated at 200 kV (FEG, 1.9 Å point resolution) equipped with an EDAX energy-dispersive X-ray detector. The EDX spectra were processed using the FEI TIA software. Ten crystals were measured.

(2) an FEI Tecnai G2 20 (LaB6, 200 kV) equipped with an EDAX windowless EDX detector Apollo XLTW. The EDX spectra were processed using the EDAX TEAM software. Twelve crystals were measured.

(3) an electron probe microanalyzer Jeol JXA-8230 equipped with energy-dispersive spectrometer Bruker QUANTAX 200. Sample composition was measured at 20 kV by standardless quantification method P/B-ZAF. The software Esprit 2 (Bruker) was used for data processing. Seven points were measured on the monomineral bulk sample.

For powder X-ray diffraction experiment (pXRD), the sample was ground and placed in the 0.5 mm borosilicate glass capillary. Powder diffraction data was collected using the Debye–Scherrer transmission configuration on the Empyrean (PANalytical) powder diffractometer (λCu Kα = 1.54184 Å, 45 kV, 40 mA) that was equipped by a focusing mirror, capillary holder, PIXcel3D detector and an Oxford Cryostream cooling head 700 plus. The measurement was performed at a constant temperature of 100 K from 2θ = 3° to 2θ = 80° with a 0.013° step with a total measurement time of 3 h.

HAADF STEM images were taken using a FEI Titan 80-300ST equipped with an imaging corrector and a Fischione HAADF detector. The machine was operated at 300 kV and a beam current of about 6 pA during all experiments. Image simulations were performed using the StemSim code (Rosenauer & Schowalter, 2008) applying the parameters of the experiment.

The complexity of crystal structures was quantitatively estimated using Shannon information theory-based approach followed the procedures proposed by Krivovichev (2012) and Krivovichev (2014). The complexity was estimated as the amounts of Shannon information in bit per atom and per unit cell. The calculations have been performed using the TOPOS Pro software package (Blatov et al., 2014).

Supporting information

Computing details

(I)

Crystal data

Ba1.848Ca28.0913F5Fe1.7H2K17.5MnNa11.9087Nb1.6O200Si62Sr2.152Ti6.7	V = 9558.08 Å^3
Mr = 8183.7	Z = 2
Monoclinic, P21	F(000) = 2836.263
Hall symbol: P 2yb	Dx = 2.844 Mg m^−3
a = 14.2359 Å	Electron radiation, λ = 0.0251 Å
b = 44.8242 Å	µ = 0 mm^−1
c = 15.9058 Å	T = 293 K
β = 109.6582°	Needle, brown

Data collection

FEI Tecnai G2 20, 200keV diffractometer	30466 reflections with I > 3σ(I)
Radiation source: FEI Tecnai G2 20, LaB6	Rint = 0.176
None monochromator	θmax = 1.0°, θmin = 0.1°
Detector resolution: 2048x2048 pixels mm^-1	h = −19→19
precessionelectrondiffractiontomography scans	k = −62→62
113841 measured reflections	l = −22→22
54790 independent reflections

Refinement

Refinement on F	248 restraints
R[F^2 > 2σ(F^2)] = 0.199	630 constraints
wR(F^2) = 0.285	H-atom parameters constrained
S = 2.58	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.01F^2)
54790 reflections	(Δ/σ)max = 0.028
1065 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ba1	0.34392 (18)	0.14860 (13)	0.25320 (15)	0.0173 (4)*	0.60 (2)
Sr1	0.34392 (18)	0.14860 (13)	0.25320 (15)	0.0173 (4)*	0.40 (2)
Ba2	0.22423 (19)	0.21968 (13)	0.93450 (17)	0.0173 (4)*	0.55 (2)
Sr2	0.22423 (19)	0.21968 (13)	0.93450 (17)	0.0173 (4)*	0.45 (2)
Ba3	0.16363 (18)	0.14493 (13)	0.77281 (16)	0.0173 (4)*	0.43 (2)
Sr3	0.16363 (18)	0.14493 (13)	0.77281 (16)	0.0173 (4)*	0.57 (2)
Ba4	0.7089 (2)	0.56999 (14)	0.89290 (19)	0.0173 (4)*	0.26 (2)
Sr4	0.7089 (2)	0.56999 (14)	0.89290 (19)	0.0173 (4)*	0.74 (2)
K1	0.1492 (4)	0.3393 (2)	0.3948 (4)	0.0223 (3)*
K2	0.6460 (4)	0.3389 (2)	0.4007 (4)	0.0223 (3)*
K3	0.6695 (4)	0.0275 (2)	0.7825 (4)	0.0223 (3)*
K4	0.8299 (4)	0.5289 (2)	1.2182 (4)	0.0223 (3)*
K5	0.6316 (4)	0.4604 (2)	0.3594 (4)	0.0223 (3)*
K6	0.2529 (4)	0.3984 (2)	0.7029 (4)	0.0223 (3)*
K7	0.1346 (4)	0.4598 (2)	0.3574 (4)	0.0223 (3)*
K8	0.3501 (4)	0.2681 (2)	0.2622 (4)	0.0223 (3)*
K9	0.8481 (4)	0.2678 (2)	1.2607 (4)	0.0223 (3)*
K10	0.7556 (4)	0.3966 (2)	0.7047 (4)	0.0223 (3)*
K11	0.8462 (4)	0.1458 (2)	1.2695 (4)	0.0223 (3)*
K12	0.7963 (4)	0.0603 (2)	1.1219 (4)	0.0223 (3)*
K13	0.6480 (4)	0.1455 (2)	0.7411 (3)	0.0223 (3)*
K14	0.7119 (4)	0.2165 (2)	0.9266 (4)	0.0223 (3)*
Na1	0.7057 (3)	0.17990 (16)	0.5449 (3)	0.0056 (6)*	0.17 (3)
Ca1	0.7057 (3)	0.17990 (16)	0.5449 (3)	0.0056 (6)*	0.83 (3)
Na2	0.2016 (3)	0.17959 (17)	0.5474 (3)	0.0056 (6)*	0.18 (3)
Ca2	0.2016 (3)	0.17959 (17)	0.5474 (3)	0.0056*	0.82 (3)
Na3	0.3053 (4)	0.11327 (18)	0.4849 (3)	0.0056 (6)*	0.42 (3)
Ca3	0.3053 (4)	0.11327 (18)	0.4849 (3)	0.0056*	0.58 (3)
Na4	0.8073 (4)	0.11437 (18)	0.4853 (3)	0.0056 (6)*	0.47 (3)
Ca4	0.8073 (4)	0.11437 (18)	0.4853 (3)	0.0056*	0.53 (3)
Na5	0.9578 (3)	0.17752 (17)	0.5515 (3)	0.0056 (6)*	0.29 (3)
Ca5	0.9578 (3)	0.17752 (17)	0.5515 (3)	0.0056*	0.71 (3)
Na6	0.5541 (4)	0.11465 (17)	0.4824 (3)	0.0056 (6)*	0.32 (3)
Ca6	0.5541 (4)	0.11465 (17)	0.4824 (3)	0.0056*	0.68 (3)
Na7	0.0533 (4)	0.11504 (19)	0.4851 (4)	0.0056 (6)*	0.57 (3)
Ca7	0.0533 (4)	0.11504 (19)	0.4851 (4)	0.0056*	0.43 (3)
Na8	0.5283 (4)	0.27949 (19)	0.7510 (4)	0.0056 (6)*	0.55 (3)
Ca8	0.5283 (4)	0.27949 (19)	0.7510 (4)	0.0056*	0.45 (3)
Na9	0.0303 (4)	0.27998 (19)	0.7540 (4)	0.0056 (6)*	0.59 (3)
Ca9	0.0303 (4)	0.27998 (19)	0.7540 (4)	0.0056*	0.41 (3)
Na10	0.4520 (4)	0.1781 (2)	0.5467 (4)	0.0056 (6)*	0.76 (3)
Ca10	0.4520 (4)	0.1781 (2)	0.5467 (4)	0.0056*	0.24 (3)
Na11	0.7846 (4)	0.27886 (18)	0.7533 (3)	0.0056 (6)*	0.44 (3)
Ca11	0.7846 (4)	0.27886 (18)	0.7533 (3)	0.0056*	0.56 (3)
Na12	0.2834 (4)	0.27909 (18)	0.7579 (3)	0.0056 (6)*	0.44 (3)
Ca12	0.2834 (4)	0.27909 (18)	0.7579 (3)	0.0056*	0.56 (3)
Na13	0.5226 (5)	0.5117 (2)	0.7134 (5)	0.0056 (6)*	0.97 (2)
Ca13	0.5226 (5)	0.5117 (2)	0.7134 (5)	0.0056*	0.03 (2)
Na14	0.7652 (4)	0.5088 (2)	0.7199 (4)	0.0056 (6)*	0.74 (2)
Ca14	0.7652 (4)	0.5088 (2)	0.7199 (4)	0.0056*	0.26 (2)
Na15	0.0235 (5)	0.5093 (2)	0.7137 (5)	0.0056 (6)*	0.99
Ca15	0.0235 (5)	0.5093 (2)	0.7137 (5)	0.0056*	0.01
Na16	0.2656 (5)	0.5077 (2)	0.7236 (5)	0.0056 (6)*	0.99
Ca16	0.2656 (5)	0.5077 (2)	0.7236 (5)	0.0056*	0.01
Na17	0.3194 (3)	0.54303 (16)	0.5229 (3)	0.0056 (6)*	0.09 (3)
Ca17	0.3194 (3)	0.54303 (16)	0.5229 (3)	0.0056*	0.91 (3)
Na18	0.9086 (3)	0.34864 (16)	1.0920 (3)	0.0056 (6)*	0.15 (3)
Ca18	0.9086 (3)	0.34864 (16)	1.0920 (3)	0.0056*	0.85 (3)
Ca19	0.0665 (3)	0.54355 (17)	0.5157 (3)	0.0056*	0.85 (2)
Na19	0.0665 (3)	0.54355 (17)	0.5157 (3)	0.0056 (6)*	0.15 (2)
Ca20	0.5675 (3)	0.54282 (16)	0.5165 (3)	0.0056*	0.99
Na20	0.5675 (3)	0.54282 (16)	0.5165 (3)	0.0056 (6)*	0.01
Ca21	0.8998 (3)	0.43873 (16)	1.0696 (3)	0.0056*	0.99
Na21	0.8998 (3)	0.43873 (16)	1.0696 (3)	0.0056 (6)*	0.01
Ca22	0.7190 (4)	0.32104 (18)	0.9093 (3)	0.0056*	0.57 (3)
Na22	0.7190 (4)	0.32104 (18)	0.9093 (3)	0.0056 (6)*	0.43 (3)
Ca23	0.9716 (3)	0.31786 (17)	0.9168 (3)	0.0056*	0.79 (3)
Na23	0.9716 (3)	0.31786 (17)	0.9168 (3)	0.0056 (6)*	0.21 (3)
Ca24	0.8193 (3)	0.54395 (17)	1.5247 (3)	0.0056*	0.77 (3)
Na24	0.8193 (3)	0.54395 (17)	1.5247 (3)	0.0056 (6)*	0.23 (3)
Ca25	0.1601 (3)	0.34942 (16)	1.0930 (3)	0.0056*	0.99
Na25	0.1601 (3)	0.34942 (16)	1.0930 (3)	0.0056 (6)*	0.01
Ca26	0.3332 (3)	0.25071 (16)	0.5539 (3)	0.0056*	0.99
Na26	0.3332 (3)	0.25071 (16)	0.5539 (3)	0.0056 (6)*	0.01
Ca27	0.4085 (3)	0.34866 (16)	1.0926 (3)	0.0056*	0.93 (3)
Na27	0.4085 (3)	0.34866 (16)	1.0926 (3)	0.0056 (6)*	0.07 (3)
Ca28	0.4704 (3)	0.31846 (17)	0.9180 (3)	0.0056*	0.78 (3)
Na28	0.4704 (3)	0.31846 (17)	0.9180 (3)	0.0056 (6)*	0.22 (3)
Ca29	0.5803 (3)	0.25077 (16)	0.5528 (3)	0.0056*	0.99
Na29	0.5803 (3)	0.25077 (16)	0.5528 (3)	0.0056 (6)*	0.01
Ca30	0.8331 (3)	0.24968 (16)	0.5533 (3)	0.0056*	0.99
Na30	0.8331 (3)	0.24968 (16)	0.5533 (3)	0.0056 (6)*	0.01
Ca31	0.6464 (3)	0.43823 (17)	1.0728 (3)	0.0056*	0.69 (3)
Na31	0.6464 (3)	0.43823 (17)	1.0728 (3)	0.0056 (6)*	0.31 (3)
Ca32	0.0800 (3)	0.25104 (16)	0.5498 (3)	0.0056*	0.99
Na32	0.0800 (3)	0.25104 (16)	0.5498 (3)	0.0056 (6)*	0.01
Ca33	0.6608 (3)	0.34926 (16)	1.0922 (3)	0.0056*	0.99
Na33	0.6608 (3)	0.34926 (16)	1.0922 (3)	0.0056 (6)*	0.01
Ca34	1.1485 (3)	0.43905 (17)	1.0724 (3)	0.0056*	0.79 (3)
Na34	1.1485 (3)	0.43905 (17)	1.0724 (3)	0.0056 (6)*	0.21 (3)
Ca35	0.2201 (4)	0.3196 (2)	0.9117 (4)	0.0056*	0.32 (3)
Na35	0.2201 (4)	0.3196 (2)	0.9117 (4)	0.0056 (6)*	0.68 (3)
Ca36	0.3993 (3)	0.43884 (16)	1.0710 (3)	0.0056*	0.99
Na36	0.3993 (3)	0.43884 (16)	1.0710 (3)	0.0056 (6)*	0.01
Ca37	0.1979 (3)	0.46297 (16)	0.8675 (3)	0.0056*	0.99
Na37	0.1979 (3)	0.46297 (16)	0.8675 (3)	0.0056 (6)*	0.01
Ca38	0.6975 (3)	0.46427 (16)	0.8699 (3)	0.0056*	0.99
Na38	0.6975 (3)	0.46427 (16)	0.8699 (3)	0.0056 (6)*	0.01
Ca39	0.9492 (3)	0.46264 (16)	0.8734 (3)	0.0056*	0.86 (2)
Na39	0.9492 (3)	0.46264 (16)	0.8734 (3)	0.0056 (6)*	0.14 (2)
Ca40	0.4482 (3)	0.46310 (16)	0.8725 (3)	0.0056*	0.99
Na40	0.4482 (3)	0.46310 (16)	0.8725 (3)	0.0056 (6)*	0.01
Ti1	0.5539 (3)	0.05038 (13)	0.1355 (2)	0.0046 (2)*	0.7396
Mn1	0.5539 (3)	0.05038 (13)	0.1355 (2)	0.0046 (2)*	0.0787
Fe1	0.5539 (3)	0.05038 (13)	0.1355 (2)	0.0046 (2)*	0.1337
Nb1	0.5539 (3)	0.05038 (13)	0.1355 (2)	0.0046 (2)*	0.0479
Ti2	0.9641 (3)	0.23818 (14)	0.9070 (2)	0.0046 (2)*	0.7396
Mn2	0.9641 (3)	0.23818 (14)	0.9070 (2)	0.0046 (2)*	0.0787
Fe2	0.9641 (3)	0.23818 (14)	0.9070 (2)	0.0046 (2)*	0.1337
Nb2	0.9641 (3)	0.23818 (14)	0.9070 (2)	0.0046 (2)*	0.0479
Ti3	0.8897 (2)	0.14624 (15)	0.7172 (2)	0.0046 (2)*	0.7396
Mn3	0.8897 (2)	0.14624 (15)	0.7172 (2)	0.0046 (2)*	0.0787
Fe3	0.8897 (2)	0.14624 (15)	0.7172 (2)	0.0046 (2)*	0.1337
Nb3	0.8897 (2)	0.14624 (15)	0.7172 (2)	0.0046 (2)*	0.0479
Ti9	0.5285 (2)	0.36412 (13)	0.75639 (18)	0.0046 (2)*	0.351
Nb9	0.5285 (2)	0.36412 (13)	0.75639 (18)	0.0046 (2)*	0.649
Ti10	1.0299 (2)	0.36453 (13)	0.75704 (18)	0.0046 (2)*	0.432
Nb10	1.0299 (2)	0.36453 (13)	0.75704 (18)	0.0046 (2)*	0.568
Nb4	0.0493 (3)	0.050855	0.1363 (2)	0.0046 (2)*	0.0479
Mn4	0.0493 (3)	0.050855	0.1363 (2)	0.0046 (2)*	0.0787
Fe4	0.0493 (3)	0.050855	0.1363 (2)	0.0046 (2)*	0.1337
Ti4	0.0493 (3)	0.050855	0.1363 (2)	0.0046 (2)*	0.7396
Nb5	0.1158 (2)	0.14656 (14)	0.3144 (2)	0.0046 (2)*	0.0479
Mn5	0.1158 (2)	0.14656 (14)	0.3144 (2)	0.0046 (2)*	0.0787
Fe5	0.1158 (2)	0.14656 (14)	0.3144 (2)	0.0046 (2)*	0.1337
Ti5	0.1158 (2)	0.14656 (14)	0.3144 (2)	0.0046 (2)*	0.7396
Nb6	0.4666 (3)	0.23791 (14)	0.9065 (2)	0.0046 (2)*	0.0479
Fe6	0.4666 (3)	0.23791 (14)	0.9065 (2)	0.0046 (2)*	0.1337
Mn6	0.4666 (3)	0.23791 (14)	0.9065 (2)	0.0046 (2)*	0.0787
Ti6	0.4666 (3)	0.23791 (14)	0.9065 (2)	0.0046 (2)*	0.7396
Nb7	0.3953 (2)	0.14741 (15)	0.7165 (2)	0.0046 (2)*	0.0479
Mn7	0.3953 (2)	0.14741 (15)	0.7165 (2)	0.0046 (2)*	0.0787
Fe7	0.3953 (2)	0.14741 (15)	0.7165 (2)	0.0046 (2)*	0.1337
Ti7	0.3953 (2)	0.14741 (15)	0.7165 (2)	0.0046 (2)*	0.7396
Fe8	0.6214 (2)	0.14562 (15)	0.3139 (2)	0.0046 (2)*	0.1337
Mn8	0.6214 (2)	0.14562 (15)	0.3139 (2)	0.0046 (2)*	0.0787
Nb8	0.6214 (2)	0.14562 (15)	0.3139 (2)	0.0046 (2)*	0.0479
Ti8	0.6214 (2)	0.14562 (15)	0.3139 (2)	0.0046 (2)*	0.7396
Fep	0.2593 (2)	0.15106 (14)	0.02301 (19)	0.0046*	0.63
Mnp	0.2593 (2)	0.15106 (14)	0.02301 (19)	0.0046 (2)*	0.37
Si1	−0.0244 (4)	0.08107 (19)	0.3034 (4)	0.00566 (18)*
Si2	0.2349 (4)	0.08847 (19)	0.6641 (4)	0.00566 (18)*
Si3	0.8836 (4)	0.2739 (2)	1.0540 (4)	0.00566 (18)*
Si4	0.3472 (4)	0.44694 (19)	1.2656 (4)	0.00566 (18)*
Si5	0.4717 (4)	0.08141 (19)	0.3034 (4)	0.00566 (18)*
Si6	0.7080 (4)	0.39728 (19)	1.2654 (4)	0.00566 (18)*
Si7	0.7509 (4)	0.08171 (19)	0.3020 (4)	0.00566 (18)*
Si8	0.2664 (4)	0.58757 (19)	0.3368 (4)	0.00566 (18)*
Si9	0.4205 (4)	0.31091 (19)	0.4649 (4)	0.00566 (18)*
Si10	0.1379 (4)	0.25511 (19)	0.3589 (4)	0.00566 (18)*
Si11	0.8479 (4)	0.44566 (19)	1.2665 (4)	0.00566 (18)*
Si12	0.9224 (4)	0.30992 (19)	0.4679 (4)	0.00566 (18)*
Si13	0.4316 (4)	0.16522 (19)	0.9343 (3)	0.00566 (18)*
Si14	0.6357 (4)	0.2550 (2)	0.3574 (4)	0.00566 (18)*
Si15	1.0129 (4)	0.08805 (19)	0.6691 (4)	0.00566 (18)*
Si16	0.3559 (4)	0.34711 (19)	1.2872 (4)	0.00566 (18)*
Si17	1.0576 (4)	0.49852 (19)	1.1523 (4)	0.00566 (18)*
Si18	0.4934 (4)	0.12715 (19)	0.1060 (3)	0.00566 (18)*
Si19	0.1162 (4)	0.3236 (2)	0.6169 (4)	0.00566 (18)*
Si20	0.3805 (4)	0.2754 (2)	1.0543 (4)	0.00566 (18)*
Si21	0.4967 (4)	0.20482 (19)	0.3696 (4)	0.00566 (18)*
Si22	0.4906 (4)	0.39795 (19)	1.2646 (4)	0.00566 (18)*
Si23	0.7586 (4)	0.2105 (2)	0.7276 (4)	0.00566 (18)*
Si24	1.0135 (4)	0.16315 (19)	0.9331 (3)	0.00566 (18)*
Si25	0.2593 (4)	0.2096 (2)	0.7283 (4)	0.00566 (18)*
Si26	0.2365 (4)	0.38953 (19)	0.9340 (4)	0.00566 (18)*
Si27	0.9897 (4)	0.39714 (19)	1.2648 (4)	0.00566 (18)*
Si28	0.5039 (4)	0.43761 (19)	0.6796 (4)	0.00566 (18)*
Si29	0.5546 (4)	0.49852 (19)	1.1528 (4)	0.00566 (18)*
Si30	1.2083 (4)	0.39748 (19)	1.2667 (4)	0.00566 (18)*
Si31	0.5675 (4)	0.29262 (19)	1.1916 (4)	0.00566 (18)*
Si32	1.0034 (4)	0.43763 (19)	0.6791 (4)	0.00566 (18)*
Si33	0.6182 (4)	0.32375 (19)	0.6166 (4)	0.00566 (18)*
Si34	0.5149 (4)	0.0895 (2)	0.6681 (4)	0.00566 (18)*
Si35	0.8230 (4)	0.47111 (19)	0.5701 (4)	0.00566 (18)*
Si36	−0.0020 (4)	0.20622 (19)	0.3687 (4)	0.00566 (18)*
Si37	0.7349 (4)	0.39006 (19)	0.9317 (4)	0.00566 (18)*
Si38	0.2528 (4)	0.08114 (19)	0.3023 (4)	0.00566 (18)*
Si39	0.8558 (4)	0.34716 (19)	1.2874 (4)	0.00566 (18)*
Si40	0.0318 (4)	0.2107 (2)	0.7277 (4)	0.00566 (18)*
Si41	0.9581 (4)	0.38952 (19)	0.9271 (4)	0.00566 (18)*
Si42	0.1176 (4)	0.53799 (19)	0.3229 (4)	0.00566 (18)*
Si43	0.3358 (4)	0.32513 (19)	0.6131 (4)	0.00566 (18)*
Si44	0.8366 (4)	0.3246 (2)	0.6104 (4)	0.00566 (18)*
Si45	0.3224 (4)	0.47109 (19)	0.5708 (4)	0.00566 (18)*
Si46	0.5370 (4)	0.2112 (2)	0.7300 (4)	0.00566 (18)*
Si47	1.0742 (4)	0.2925 (2)	1.1910 (4)	0.00566 (18)*
Si48	0.6589 (4)	0.27381 (19)	1.0503 (4)	0.00566 (18)*
Si49	0.4573 (4)	0.3891 (2)	0.9289 (4)	0.00566 (18)*
Si50	0.6171 (4)	0.53805 (19)	1.3232 (4)	0.00566 (18)*
Si51	0.7770 (4)	0.2059 (2)	0.3663 (4)	0.00566 (18)*
Si52	1.1430 (4)	0.51294 (19)	1.0096 (4)	0.00566 (18)*
Si53	0.1057 (4)	0.47186 (19)	0.5619 (4)	0.00566 (18)*
Si54	0.2769 (4)	0.20554 (19)	0.3678 (4)	0.00566 (18)*
Si55	1.1538 (4)	0.2750 (2)	1.0503 (4)	0.00566 (18)*
Si56	0.6421 (4)	0.51296 (19)	1.0077 (4)	0.00566 (18)*
Si57	0.6029 (4)	0.47155 (19)	0.5639 (4)	0.00566 (18)*
Si58	0.0840 (4)	0.12660 (19)	0.1041 (3)	0.00566 (18)*
Si59	0.4099 (4)	0.48755 (19)	0.4253 (4)	0.00566 (18)*
Si60	0.6401 (4)	0.01320 (19)	0.9950 (4)	0.00566 (18)*
Si61	0.8641 (4)	0.51203 (19)	1.0055 (4)	0.00566 (18)*
Si62	−0.0881 (4)	0.48850 (19)	0.4251 (4)	0.00566 (18)*
O1	0.3327 (7)	0.2281 (3)	0.8178 (6)	0.01089 (17)*
O2	0.8316 (7)	0.2281 (3)	0.8147 (6)	0.01089 (17)*
O3	0.4519 (7)	0.4280 (3)	1.2986 (6)	0.01089 (17)*
O4	0.0673 (7)	0.0104 (3)	0.1837 (6)	0.01089 (17)*
O5	0.5767 (7)	0.0108 (3)	0.1838 (6)	0.01089 (17)*
O6	0.9555 (7)	0.4282 (3)	1.2994 (6)	0.01089 (17)*
O7	0.6113 (7)	0.2861 (3)	0.2972 (6)	0.01089 (17)*
O8	0.0156 (7)	0.5569 (3)	0.2937 (6)	0.01089 (17)*
O9	0.1126 (7)	0.2854 (3)	0.2938 (6)	0.01089 (17)*
O10	0.3725 (7)	0.3071 (3)	1.0030 (6)	0.01089 (17)*
O11	0.4284 (7)	0.2757 (3)	0.4791 (6)	0.01089 (17)*
O12	0.5197 (7)	0.5586 (3)	1.2948 (6)	0.01089 (17)*
O13	−0.0729 (7)	0.2752 (3)	0.4802 (6)	0.01089 (17)*
O14	0.8803 (7)	0.3058 (3)	1.0032 (6)	0.01089 (17)*
O15	0.2722 (7)	0.3674 (3)	1.3133 (6)	0.01089 (17)*
O16	0.8721 (7)	0.4781 (3)	1.3183 (6)	0.01089 (17)*
O17	1.1483 (7)	0.2786 (3)	1.1506 (6)	0.01089 (17)*
O18	0.0163 (7)	0.1155 (3)	0.3123 (6)	0.01089 (17)*
O19	0.5520 (7)	0.2050 (3)	0.4758 (6)	0.01089 (17)*
O20	0.0536 (7)	0.2041 (3)	0.4775 (6)	0.01089 (17)*
O21	0.6999 (7)	0.5579 (3)	1.2968 (6)	0.01089 (17)*
O22	0.3726 (7)	0.4776 (3)	1.3244 (6)	0.01089 (17)*
O23	0.8669 (7)	0.2920 (3)	0.6520 (6)	0.01089 (17)*
O24	0.4769 (7)	0.0603 (3)	0.2204 (6)	0.01089 (17)*
O25	0.7738 (7)	0.3682 (3)	1.3108 (6)	0.01089 (17)*
O26	0.2935 (7)	0.1169 (3)	0.7121 (6)	0.01089 (17)*
O27	0.6485 (7)	0.2774 (3)	1.1471 (6)	0.01089 (17)*
O28	0.7066 (6)	0.4602 (3)	0.5505 (6)	0.01089 (17)*
O29	0.7965 (7)	0.1781 (3)	0.7073 (6)	0.01089 (17)*
O30	0.3910 (7)	0.4443 (3)	0.6268 (6)	0.01089 (17)*
O31	0.3537 (6)	0.0860 (3)	0.2786 (6)	0.01089 (17)*
O32	0.7956 (7)	0.1166 (3)	0.7121 (6)	0.01089 (17)*
O33	0.3688 (6)	0.5845 (3)	0.3079 (6)	0.01089 (17)*
O34	0.2206 (6)	0.3339 (3)	0.5987 (6)	0.01089 (17)*
O35	0.8427 (7)	0.5024 (3)	0.6160 (6)	0.01089 (17)*
O36	0.2026 (7)	0.5575 (3)	0.2970 (6)	0.01089 (17)*
O37	−0.0112 (7)	0.0614 (3)	0.2262 (6)	0.01089 (17)*
O38	0.4620 (7)	0.2758 (3)	1.1532 (6)	0.01089 (17)*
O39	0.2087 (6)	0.4613 (3)	0.5503 (6)	0.01089 (17)*
O40	0.8325 (7)	0.4736 (3)	0.4708 (6)	0.01089 (17)*
O41	1.1210 (7)	0.3070 (3)	1.0008 (6)	0.01089 (17)*
O42	0.6231 (7)	0.3063 (3)	0.9978 (6)	0.01089 (17)*
O43	1.0510 (7)	0.4639 (3)	1.1451 (6)	0.01089 (17)*
O44	0.2174 (7)	0.2366 (3)	0.3227 (6)	0.01089 (17)*
O45	0.3701 (7)	0.2914 (3)	0.6515 (6)	0.01089 (17)*
O46	0.5402 (7)	0.3284 (3)	0.8168 (6)	0.01089 (17)*
O47	0.4952 (7)	0.1172 (3)	0.7238 (6)	0.01089 (17)*
O48	0.9957 (7)	0.1174 (3)	0.7229 (6)	0.01089 (17)*
O49	0.4568 (7)	0.3682 (3)	1.3146 (6)	0.01089 (17)*
O50	0.2997 (7)	0.1780 (3)	0.7115 (6)	0.01089 (17)*
O51	0.1736 (7)	0.3960 (3)	1.1596 (6)	0.01089 (17)*
O52	0.3428 (7)	0.1479 (3)	0.5844 (6)	0.01089 (17)*
O53	0.3056 (7)	0.2054 (3)	0.4746 (6)	0.01089 (17)*
O54	1.1004 (7)	0.5091 (3)	1.2561 (6)	0.01089 (17)*
O55	0.8487 (7)	0.1479 (3)	0.5857 (6)	0.01089 (17)*
O56	0.9954 (7)	0.4222 (3)	0.9707 (6)	0.01089 (17)*
O57	0.7194 (7)	0.1151 (3)	0.3111 (6)	0.01089 (17)*
O58	0.4452 (7)	0.3941 (3)	1.1551 (6)	0.01089 (17)*
O59	0.5157 (7)	0.1152 (3)	0.3171 (6)	0.01089 (17)*
O60	0.4901 (7)	0.1788 (3)	0.7083 (6)	0.01089 (17)*
O61	0.8921 (6)	0.4439 (3)	0.6214 (6)	0.01089 (17)*
O62	0.0118 (6)	0.4721 (3)	0.4667 (6)	0.01089 (17)*
O63	0.9562 (7)	0.3681 (3)	1.3146 (6)	0.01089 (17)*
O64	0.4862 (7)	0.4199 (3)	0.9711 (6)	0.01089 (17)*
O65	0.6313 (7)	0.5159 (3)	1.1084 (6)	0.01089 (17)*
O66	1.1128 (6)	0.3978 (3)	1.2967 (6)	0.01089 (17)*
O67	0.6708 (7)	0.3958 (3)	1.1618 (6)	0.01089 (17)*
O68	0.2198 (7)	0.1151 (3)	0.3083 (6)	0.01089 (17)*
O69	0.0796 (7)	0.4459 (3)	0.6236 (6)	0.01089 (17)*
O70	0.8320 (6)	0.3917 (3)	0.8963 (6)	0.01089 (17)*
O71	0.9453 (7)	0.3955 (3)	1.1555 (6)	0.01089 (17)*
O72	−0.1491 (6)	0.0853 (3)	0.2797 (6)	0.01089 (17)*
O73	0.2325 (7)	0.2301 (3)	0.6397 (6)	0.01089 (17)*
O74	0.1572 (7)	0.5315 (3)	0.4250 (6)	0.01089 (17)*
O75	0.8462 (7)	0.3259 (3)	0.5092 (6)	0.01089 (17)*
O76	0.6150 (7)	0.5043 (3)	0.6098 (6)	0.01089 (17)*
O77	0.1118 (7)	0.5031 (3)	0.6111 (6)	0.01089 (17)*
O78	0.9657 (6)	0.2764 (3)	1.1540 (6)	0.01089 (17)*
O79	0.9929 (7)	0.1774 (3)	0.7139 (6)	0.01089 (17)*
O80	0.5835 (7)	0.4430 (3)	0.6232 (6)	0.01089 (17)*
O81	0.0415 (7)	0.0924 (3)	0.0999 (6)	0.01089 (17)*
O82	0.3469 (7)	0.5018 (3)	0.6139 (6)	0.01089 (17)*
F1	0.5989 (6)	0.1522 (3)	0.5884 (5)	0.0046*
O83	0.2920 (7)	0.5905 (3)	0.4388 (6)	0.01089 (17)*
O84	0.5520 (7)	0.4626 (3)	1.1457 (6)	0.01089 (17)*
O85	0.5973 (7)	0.5082 (3)	1.2622 (6)	0.01089 (17)*
O86	1.1316 (6)	0.0865 (3)	0.6880 (6)	0.01089 (17)*
O87	0.3149 (7)	0.3346 (3)	1.1897 (6)	0.01089 (17)*
O88	1.0058 (7)	0.4015 (3)	0.6850 (6)	0.01089 (17)*
O89	0.0719 (7)	0.1432 (3)	0.1863 (6)	0.01089 (17)*
O90	0.6136 (7)	0.4808 (3)	0.9667 (6)	0.01089 (17)*
O91	0.6092 (6)	0.3986 (3)	1.2940 (6)	0.01089 (17)*
O92	0.1779 (7)	0.5093 (3)	0.8142 (6)	0.01089 (17)*
O93	0.1729 (7)	0.2645 (3)	0.4586 (6)	0.01089 (17)*
O94	1.1276 (7)	0.5163 (3)	1.1050 (6)	0.01089 (17)*
O95	0.0997 (7)	0.1479 (3)	0.5933 (6)	0.01089 (17)*
O96	0.9492 (7)	0.5150 (3)	1.1109 (6)	0.01089 (17)*
O97	0.8074 (7)	0.2057 (3)	0.4744 (6)	0.01089 (17)*
O98	0.2087 (7)	0.0888 (3)	0.5634 (6)	0.01089 (17)*
O99	0.3353 (7)	0.4723 (3)	0.4709 (6)	0.01089 (17)*
O100	0.3114 (7)	0.4549 (3)	1.1569 (6)	0.01089 (17)*
O101	0.3285 (7)	0.3270 (3)	0.8343 (6)	0.01089 (17)*
O102	0.7120 (7)	0.2361 (3)	0.3263 (6)	0.01089 (17)*
O103	0.3152 (6)	0.1640 (3)	0.9293 (6)	0.01089 (17)*
O104	0.5627 (7)	0.1458 (3)	0.1865 (6)	0.01089 (17)*
O105	0.6777 (7)	0.5106 (3)	0.8169 (6)	0.01089 (17)*
O106	0.2701 (6)	0.2694 (3)	1.0568 (6)	0.01089 (17)*
O107	1.0413 (7)	0.3300 (3)	0.8202 (6)	0.01089 (17)*
O108	0.8320 (7)	0.3265 (3)	0.8337 (6)	0.01089 (17)*
O109	0.3495 (7)	0.3262 (3)	0.5110 (6)	0.01089 (17)*
O110	0.1238 (7)	0.2909 (3)	0.6538 (6)	0.01089 (17)*
O111	0.2671 (7)	0.4286 (3)	1.2993 (6)	0.01089 (17)*
O112	0.3744 (6)	0.2086 (3)	0.3319 (6)	0.01089 (17)*
O113	1.0907 (7)	0.2466 (3)	0.9987 (6)	0.01089 (17)*
O114	0.4970 (7)	0.1453 (3)	0.0136 (6)	0.01089 (17)*
O115	0.7229 (6)	0.3336 (3)	0.5987 (6)	0.01089 (17)*
O116	0.6530 (7)	0.5290 (3)	1.4242 (6)	0.01089 (17)*
O117	0.6252 (7)	0.2900 (3)	0.6566 (6)	0.01089 (17)*
O118	0.2120 (7)	0.1784 (3)	0.3080 (6)	0.01089 (17)*
O119	0.4484 (7)	0.2747 (3)	0.8638 (6)	0.01089 (17)*
O120	0.5148 (6)	0.4716 (3)	0.4661 (6)	0.01089 (17)*
O121	0.7729 (6)	0.2726 (3)	1.0618 (6)	0.01089 (17)*
O122	0.8936 (7)	0.2447 (3)	0.9976 (6)	0.01089 (17)*
O123	0.1865 (7)	0.0624 (3)	0.2231 (6)	0.01089 (17)*
O124	0.5328 (7)	0.2358 (3)	0.3278 (6)	0.01089 (17)*
O125	0.3770 (6)	0.1218 (3)	0.0870 (6)	0.01089 (17)*
O126	1.1142 (7)	0.4798 (3)	0.9642 (6)	0.01089 (17)*
O127	−0.0883 (7)	0.5237 (3)	0.4459 (6)	0.01089 (17)*
O128	0.7667 (7)	0.4280 (3)	1.3003 (6)	0.01089 (17)*
O129	0.6535 (6)	0.2048 (3)	0.7530 (6)	0.01089 (17)*
O130	0.5967 (7)	0.3480 (3)	0.6749 (6)	0.01089 (17)*
O131	0.4492 (7)	0.5153 (3)	1.1057 (6)	0.01089 (17)*
O132	0.6787 (7)	0.0622 (3)	0.2249 (6)	0.01089 (17)*
O133	−0.0114 (7)	0.2329 (3)	0.6387 (6)	0.01089 (17)*
O134	0.2177 (7)	0.4226 (3)	0.9682 (6)	0.01089 (17)*
O135	0.1543 (6)	0.2067 (3)	0.7538 (6)	0.01089 (17)*
O136	0.4166 (7)	0.5232 (3)	0.4492 (6)	0.01089 (17)*
O137	0.7217 (7)	0.4229 (3)	0.9743 (6)	0.01089 (17)*
O138	0.9482 (7)	0.1454 (3)	0.8509 (6)	0.01089 (17)*
O139	0.1931 (6)	0.1265 (3)	0.0933 (6)	0.01089 (17)*
O140	0.0139 (7)	0.1764 (3)	0.3181 (6)	0.01089 (17)*
O141	0.4491 (7)	0.3844 (3)	0.8245 (6)	0.01089 (17)*
O142	0.7157 (7)	0.1790 (3)	0.3001 (6)	0.01089 (17)*
O143	0.1596 (7)	0.1437 (3)	0.4333 (6)	0.01089 (17)*
O144	0.5005 (7)	0.4010 (3)	0.6863 (6)	0.01089 (17)*
O145	0.7533 (7)	0.3643 (3)	1.0037 (6)	0.01089 (17)*
O146	0.6911 (7)	0.2776 (3)	0.8514 (6)	0.01089 (17)*
O147	0.4027 (7)	0.2467 (3)	1.0003 (6)	0.01089 (17)*
O148	0.7426 (7)	0.2319 (3)	0.6405 (6)	0.01089 (17)*
O149	0.8903 (7)	0.3199 (3)	0.3579 (6)	0.01089 (17)*
O150	0.3838 (7)	0.3209 (3)	0.3624 (6)	0.01089 (17)*
O151	0.6647 (7)	0.1432 (3)	0.4312 (6)	0.01089 (17)*
O152	0.5418 (7)	0.0946 (3)	0.1042 (6)	0.01089 (17)*
O153	0.5346 (7)	0.2272 (3)	0.8231 (6)	0.01089 (17)*
O154	0.4414 (7)	0.1482 (3)	0.8492 (6)	0.01089 (17)*
O155	0.9808 (7)	0.1953 (3)	0.9548 (6)	0.01089 (17)*
O156	0.3991 (7)	0.3510 (3)	0.6678 (6)	0.01089 (17)*
O157	0.5222 (7)	0.1785 (3)	0.3141 (6)	0.01089 (17)*
F2	0.4055 (6)	0.1388 (2)	0.4264 (5)	0.0046*
O158	0.3295 (6)	0.3921 (3)	0.8946 (6)	0.01089 (17)*
O159	0.0324 (7)	0.2361 (3)	0.3295 (6)	0.01089 (17)*
O160	1.0024 (7)	0.1414 (3)	1.0142 (6)	0.01089 (17)*
O161	0.6696 (7)	0.2635 (3)	0.4588 (6)	0.01089 (17)*
O162	0.0950 (7)	0.3496 (3)	0.6758 (6)	0.01089 (17)*
O163	0.0226 (7)	0.0668 (3)	0.4061 (6)	0.01089 (17)*
O164	0.5659 (7)	0.3284 (3)	1.1734 (6)	0.01089 (17)*
O165	0.8991 (7)	0.3510 (3)	0.6696 (6)	0.01089 (17)*
O166	0.9508 (7)	0.2795 (3)	0.8633 (6)	0.01089 (17)*
O167	0.2740 (7)	0.0657 (3)	0.3959 (6)	0.01089 (17)*
O168	1.0293 (7)	0.3255 (3)	0.5177 (6)	0.01089 (17)*
O169	0.8854 (7)	0.5403 (3)	0.9544 (6)	0.01089 (17)*
O170	0.5227 (7)	0.0662 (3)	0.4015 (6)	0.01089 (17)*
O171	0.0337 (7)	0.2266 (3)	0.8191 (6)	0.01089 (17)*
O172	0.9452 (7)	0.3841 (3)	0.8263 (6)	0.01089 (17)*
O173	1.0652 (7)	0.3277 (3)	1.1775 (6)	0.01089 (17)*
O174	0.6158 (7)	0.0397 (3)	1.0504 (6)	0.01089 (17)*
O175	1.0796 (7)	0.5411 (3)	0.9539 (6)	0.01089 (17)*
O176	0.8179 (7)	0.3342 (3)	1.1887 (6)	0.01089 (17)*
O177	0.4941 (7)	0.2339 (3)	0.6459 (6)	0.01089 (17)*
O178	0.8164 (7)	0.4520 (3)	1.1609 (6)	0.01089 (17)*
O179	1.0408 (7)	0.4558 (3)	0.7754 (6)	0.01089 (17)*
O180	0.7825 (7)	0.0674 (3)	0.3978 (6)	0.01089 (17)*
O181	0.5923 (7)	0.2470 (3)	0.9908 (6)	0.01089 (17)*
O182	0.4940 (7)	0.3588 (3)	0.9851 (6)	0.01089 (17)*
O183	0.9581 (7)	0.0895 (3)	0.5654 (6)	0.01089 (17)*
O184	0.5801 (7)	0.5405 (3)	0.9506 (6)	0.01089 (17)*
F3	0.9096 (6)	0.1422 (3)	0.4314 (5)	0.0046*
O185	0.1947 (7)	0.2740 (3)	0.8538 (6)	0.01089 (17)*
O186	0.4697 (7)	0.1977 (3)	0.9527 (6)	0.01089 (17)*
O187	0.6619 (7)	0.3807 (3)	0.8374 (6)	0.01089 (17)*
O188	0.5444 (7)	0.4561 (3)	0.7760 (6)	0.01089 (17)*
F4	0.2941 (6)	0.4553 (3)	0.7823 (5)	0.0046*
O189	0.2977 (6)	0.1972 (3)	0.1114 (6)	0.01089 (17)*
F5	0.7900 (6)	0.4562 (3)	0.7798 (5)	0.0046*
O190	1.1292 (6)	0.1631 (3)	0.9327 (6)	0.01089 (17)*
O191	0.7613 (6)	0.5198 (3)	1.0247 (6)	0.01089 (17)*
O192	0.6348 (7)	−0.0195 (3)	1.0334 (6)	0.01089 (17)*
O193	0.8730 (6)	0.2072 (3)	0.3316 (6)	0.01089 (17)*
O194	0.2514 (7)	0.3619 (3)	1.0031 (6)	0.01089 (17)*
O195	0.5287 (6)	0.3266 (3)	0.5176 (6)	0.01089 (17)*
O196	0.8685 (7)	0.4794 (3)	0.9735 (6)	0.01089 (17)*
O197	0.9976 (7)	0.3594 (3)	0.9863 (6)	0.01089 (17)*
O198	0.1564 (7)	0.3819 (3)	0.8368 (6)	0.01089 (17)*
O199	0.7388 (6)	0.0220 (3)	0.9719 (6)	0.01089 (17)*
O200	0.4652 (7)	0.0902 (3)	0.5686 (6)	0.01089 (17)*
K15	0.4286 (8)	0.0831 (3)	0.8916 (7)	0.0223 (3)*	0.5
K16	0.9681 (8)	0.0825 (3)	0.9004 (7)	0.0223 (3)*	0.5
K17	1.0664 (8)	0.2097 (4)	1.1431 (7)	0.0223 (3)*	0.5
K18	0.5363 (8)	0.2092 (3)	1.1490 (7)	0.0223 (3)*	0.5
K19	0.2134 (8)	0.0951 (3)	0.9121 (7)	0.0223 (3)*	0.5
K20	0.4066 (9)	0.3881 (4)	0.5123 (8)	0.0223 (3)*	0.5
K21	0.8988 (8)	0.3891 (3)	0.5123 (8)	0.0223 (3)*	0.5
H1o189	0.368725	0.199849	0.135144	0.0131*
H2o189	0.24882	0.200205	0.139908	0.0131*

Geometric parameters (Å, º)

Ba1—O31	2.832 (14)	Ca34—O100^xi	2.366 (10)
Ba1—O59	2.753 (11)	Ca34—O126	2.443 (13)
Ba1—O68	2.680 (12)	Ca34—O134^xi	2.315 (13)
Ba1—O112	2.936 (14)	Na34—O43	2.364 (13)
Ba1—O118	2.678 (12)	Na34—O51^xi	2.331 (14)
Ba1—O125	3.082 (11)	Na34—O56	2.359 (10)
Ba1—O139	2.896 (9)	Na34—O100^xi	2.366 (10)
Ba1—O157	2.742 (11)	Na34—O126	2.443 (13)
Ba1—F2	2.632 (8)	Na34—O134^xi	2.315 (13)
Ba1—O189	3.043 (12)	Ca35—O10	2.239 (10)
Sr1—O31	2.832 (14)	Ca35—O41^i	2.380 (14)
Sr1—O59	2.753 (11)	Ca35—O101	2.300 (14)
Sr1—O68	2.680 (12)	Ca35—O107^i	2.514 (10)
Sr1—O112	2.936 (14)	Ca35—O185	2.222 (15)
Sr1—O118	2.678 (12)	Ca35—O194	2.337 (14)
Sr1—O139	2.896 (9)	Na35—O10	2.239 (10)
Sr1—O157	2.742 (11)	Na35—O41^i	2.380 (14)
Sr1—F2	2.632 (8)	Na35—O101	2.300 (14)
Ba2—O1	2.812 (12)	Na35—O107^i	2.514 (10)
Ba2—O103	2.826 (13)	Na35—O185	2.222 (15)
Ba2—O106	2.885 (13)	Na35—O194	2.337 (14)
Ba2—O113^i	2.724 (12)	Ca36—O58	2.376 (13)
Ba2—O135	2.769 (10)	Ca36—O64	2.471 (13)
Ba2—O147	2.688 (10)	Ca36—O84	2.352 (11)
Ba2—O171	2.733 (9)	Ca36—O100	2.258 (12)
Ba2—O185	2.718 (14)	Ca36—O134	2.653 (10)
Ba2—O189^ii	2.837 (10)	Ca36—O192^xiii	2.439 (13)
Ba2—O190^i	2.871 (13)	Na36—O58	2.376 (13)
Sr2—O1	2.812 (12)	Na36—O64	2.471 (13)
Sr2—O103	2.826 (13)	Na36—O84	2.352 (11)
Sr2—O106	2.885 (13)	Na36—O100	2.258 (12)
Sr2—O113^i	2.724 (12)	Na36—O134	2.653 (10)
Sr2—O135	2.769 (10)	Na36—O192^xiii	2.439 (13)
Sr2—O147	2.688 (10)	Ca37—O92	2.223 (15)
Sr2—O171	2.733 (9)	Ca37—O126^i	2.364 (13)
Sr2—O185	2.718 (14)	Ca37—O134	2.369 (13)
Sr2—O189^ii	2.837 (10)	Ca37—O179^i	2.247 (9)
Sr2—O190^i	2.871 (13)	Ca37—F4	2.254 (11)
Ba3—O26	2.671 (12)	Ca37—O192^xiii	2.500 (10)
Ba3—O48^i	2.569 (11)	Na37—O92	2.223 (15)
Ba3—O50	2.858 (12)	Na37—O126^i	2.364 (13)
Ba3—O79^i	2.716 (11)	Na37—O134	2.369 (13)
Ba3—O86^i	2.911 (14)	Na37—O179^i	2.247 (9)
Ba3—O95	2.692 (9)	Na37—F4	2.254 (11)
Ba3—O103	2.822 (8)	Na37—O192^xiii	2.500 (10)
Ba3—O135	2.783 (14)	Ca38—O90	2.363 (13)
Ba3—O190^i	2.865 (11)	Ca38—O105	2.225 (15)
Sr3—O26	2.671 (12)	Ca38—O137	2.437 (13)
Sr3—O48^i	2.569 (11)	Ca38—O188	2.219 (9)
Sr3—O50	2.858 (12)	Ca38—F5	2.278 (11)
Sr3—O79^i	2.716 (11)	Ca38—O196	2.531 (10)
Sr3—O86^i	2.911 (14)	Na38—O90	2.363 (13)
Sr3—O95	2.692 (9)	Na38—O105	2.225 (15)
Sr3—O103	2.822 (8)	Na38—O137	2.437 (13)
Sr3—O135	2.783 (14)	Na38—O188	2.219 (9)
Sr3—O190^i	2.865 (11)	Na38—F5	2.278 (11)
Ba4—O24^iii	2.688 (9)	Na38—O196	2.531 (10)
Ba4—O31^iii	2.668 (10)	Ca39—O4^iii	2.304 (15)
Ba4—O105	2.894 (14)	Ca39—O56	2.330 (13)
Ba4—O123^iii	2.753 (12)	Ca39—O126	2.432 (10)
Ba4—O125^iii	2.692 (13)	Ca39—O179	2.364 (12)
Ba4—O139^iii	2.865 (13)	Ca39—F5	2.273 (8)
Ba4—O169	2.718 (11)	Ca39—O196	2.377 (13)
Ba4—O184	2.661 (12)	Na39—O4^iii	2.304 (15)
Ba4—O191	2.993 (13)	Na39—O56	2.330 (13)
Sr4—O24^iii	2.688 (9)	Na39—O126	2.432 (10)
Sr4—O31^iii	2.668 (10)	Na39—O179	2.364 (12)
Sr4—O105	2.894 (14)	Na39—F5	2.273 (8)
Sr4—O123^iii	2.753 (12)	Na39—O196	2.377 (13)
Sr4—O125^iii	2.692 (13)	Ca40—O5^iii	2.298 (15)
Sr4—O139^iii	2.865 (13)	Ca40—O64	2.436 (13)
Sr4—O169	2.718 (11)	Ca40—O90	2.459 (10)
Sr4—O184	2.661 (12)	Ca40—O188	2.397 (12)
K1—O9	2.850 (14)	Ca40—F4	2.208 (8)
K1—O15^iv	2.802 (14)	Ca40—O192^xiii	2.331 (13)
K1—O34	3.065 (11)	Na40—O5^iii	2.298 (15)
K1—O63^v	2.913 (11)	Na40—O64	2.436 (13)
K1—O66^v	3.006 (15)	Na40—O90	2.459 (10)
K1—O109	2.889 (10)	Na40—O188	2.397 (12)
K1—O168^i	3.061 (13)	Na40—F4	2.208 (8)
K1—O173^v	3.295 (11)	Na40—O192^xiii	2.331 (13)
K2—O7	2.828 (14)	Ti1—O5	1.918 (14)
K2—O25^iv	2.972 (14)	Ti1—O24	2.054 (12)
K2—O49^iv	2.894 (11)	Ti1—O132	1.939 (9)
K2—O75	2.851 (10)	Ti1—O152	2.037 (14)
K2—O91^iv	3.117 (15)	Ti1—O174^iv	1.909 (12)
K2—O115	2.976 (11)	Ti1—O184^vii	1.989 (9)
K2—O195	2.938 (13)	Mn1—O5	1.918 (14)
K3—O12^vi	2.913 (12)	Mn1—O24	2.054 (12)
K3—O22^vi	2.751 (14)	Mn1—O132	1.939 (9)
K3—O33^vii	2.892 (15)	Mn1—O152	2.037 (14)
K3—O36^vii	2.874 (14)	Mn1—O174^iv	1.909 (12)
K3—O94^viii	2.884 (10)	Mn1—O184^vii	1.989 (9)
K3—O131^vi	2.889 (13)	Fe1—O5	1.918 (14)
K3—O199	2.848 (11)	Fe1—O24	2.054 (12)
K4—O8^ix	2.806 (11)	Fe1—O132	1.939 (9)
K4—O16	2.727 (14)	Fe1—O152	2.037 (14)
K4—O21	2.869 (14)	Fe1—O174^iv	1.909 (12)
K4—O65	2.839 (10)	Fe1—O184^vii	1.989 (9)
K4—O86^x	2.940 (15)	Nb1—O5	1.918 (14)
K4—O96	2.853 (13)	Nb1—O24	2.054 (12)
K4—O191	2.928 (11)	Nb1—O132	1.939 (9)
K5—O3^iv	2.812 (12)	Nb1—O152	2.037 (14)
K5—O28	2.863 (11)	Nb1—O174^iv	1.909 (12)
K5—O40	2.876 (10)	Nb1—O184^vii	1.989 (9)
K5—O84^iv	3.202 (11)	Ti2—O2	2.013 (9)
K5—O85^iv	2.591 (14)	Ti2—O113	1.938 (9)
K5—O91^iv	2.937 (15)	Ti2—O122	2.034 (12)
K5—O116^iv	3.225 (16)	Ti2—O155	2.052 (13)
K5—O120	2.791 (13)	Ti2—O166	1.964 (14)
K5—O128^iv	2.812 (14)	Ti2—O171^xi	2.035 (12)
K6—O34	3.291 (15)	Mn2—O2	2.013 (9)
K6—O69	3.179 (13)	Mn2—O113	1.938 (9)
K6—O141	2.880 (10)	Mn2—O122	2.034 (12)
K6—O156	3.154 (14)	Mn2—O155	2.052 (13)
K6—O158	2.886 (11)	Mn2—O166	1.964 (14)
K6—O162	3.062 (14)	Mn2—O171^xi	2.035 (12)
K6—F4	2.816 (14)	Fe2—O2	2.013 (9)
K6—O198	2.992 (13)	Fe2—O113	1.938 (9)
K7—O6^v	2.788 (12)	Fe2—O122	2.034 (12)
K7—O39	2.891 (11)	Fe2—O155	2.052 (13)
K7—O43^v	3.185 (11)	Fe2—O166	1.964 (14)
K7—O54^v	2.680 (14)	Fe2—O171^xi	2.035 (12)
K7—O62	2.903 (13)	Nb2—O2	2.013 (9)
K7—O66^v	2.923 (16)	Nb2—O113	1.938 (9)
K7—O99	2.875 (10)	Nb2—O122	2.034 (12)
K7—O111^iv	2.746 (14)	Nb2—O155	2.052 (13)
K8—O11	3.267 (11)	Nb2—O166	1.964 (14)
K8—O17^v	2.863 (10)	Nb2—O171^xi	2.035 (12)
K8—O38^iv	2.743 (13)	Ti3—O29	1.920 (13)
K8—O44	2.776 (14)	Ti3—O32	1.870 (13)
K8—O87^iv	3.175 (15)	Ti3—O48	1.967 (12)
K8—O106^iv	3.078 (11)	Ti3—O55	1.975 (10)
K8—O112	2.866 (15)	Ti3—O79	2.041 (13)
K8—O124	2.851 (12)	Ti3—O138	2.007 (9)
K8—O150	2.803 (14)	Mn3—O29	1.920 (13)
K9—O13^ix	3.306 (11)	Mn3—O32	1.870 (13)
K9—O27	2.841 (10)	Mn3—O48	1.967 (12)
K9—O78	2.782 (13)	Mn3—O55	1.975 (10)
K9—O102^ii	2.866 (14)	Mn3—O79	2.041 (13)
K9—O121	2.987 (11)	Mn3—O138	2.007 (9)
K9—O149^ii	2.754 (14)	Fe3—O29	1.920 (13)
K9—O159^ix	2.859 (12)	Fe3—O32	1.870 (13)
K9—O176	3.166 (15)	Fe3—O48	1.967 (12)
K9—O193^ii	2.916 (15)	Fe3—O55	1.975 (10)
K10—O70	2.880 (11)	Fe3—O79	2.041 (13)
K10—O80	3.143 (13)	Fe3—O138	2.007 (9)
K10—O115	3.243 (15)	Nb3—O29	1.920 (13)
K10—O130	3.061 (14)	Nb3—O32	1.870 (13)
K10—O165	3.070 (14)	Nb3—O48	1.967 (12)
K10—O172	2.798 (10)	Nb3—O55	1.975 (10)
K10—O187	2.939 (13)	Nb3—O79	2.041 (13)
K10—F5	2.899 (14)	Nb3—O138	2.007 (9)
K11—O18^ix	2.656 (12)	Ti9—O46	1.845 (13)
K11—O57^ii	2.527 (14)	Ti9—O130	1.998 (12)
K11—O72^ix	2.718 (16)	Ti9—O141	2.027 (12)
K11—O140^ix	2.634 (12)	Ti9—O144	1.960 (12)
K11—O142^ii	2.552 (14)	Ti9—O156	1.995 (9)
K11—F3^ii	2.430 (9)	Ti9—O187	2.044 (9)
K11—O193^ii	2.905 (15)	Nb9—O46	1.845 (13)
K12—O37^ix	2.684 (10)	Nb9—O130	1.998 (12)
K12—O72^ix	2.617 (12)	Nb9—O141	2.027 (12)
K12—O92^vi	2.479 (15)	Nb9—O144	1.960 (12)
K12—O132^ii	2.710 (13)	Nb9—O156	1.995 (9)
K12—O174	2.605 (11)	Nb9—O187	2.044 (9)
K12—O175^viii	2.596 (13)	Ti10—O88	1.979 (12)
K12—O199	2.826 (13)	Ti10—O107	1.824 (13)
K13—O29	2.768 (13)	Ti10—O162^xi	1.944 (12)
K13—O32	2.640 (13)	Ti10—O165	2.007 (9)
K13—O33^vii	2.832 (16)	Ti10—O172	2.081 (12)
K13—O47	2.453 (13)	Ti10—O198^xi	1.979 (10)
K13—O60	2.600 (13)	Nb10—O88	1.979 (12)
K13—F1	2.309 (9)	Nb10—O107	1.824 (13)
K13—O129	2.660 (16)	Nb10—O162^xi	1.944 (12)
K14—O2	2.895 (13)	Nb10—O165	2.007 (9)
K14—O121	3.232 (14)	Nb10—O172	2.081 (12)
K14—O122	2.756 (12)	Nb10—O198^xi	1.979 (10)
K14—O129	2.654 (11)	Nb4—O4	1.950 (13)
K14—O146	2.961 (15)	Nb4—O37	1.959 (12)
K14—O153	2.553 (10)	Nb4—O81	1.944 (12)
K14—O181	2.643 (14)	Nb4—O123	2.043 (9)
Na1—O19	2.377 (11)	Nb4—O169^vii	2.018 (12)
Na1—O29	2.471 (10)	Nb4—O175^vii	1.961 (9)
Na1—O55	2.394 (12)	Mn4—O4	1.950 (13)
Na1—F1	2.245 (11)	Mn4—O37	1.959 (12)
Na1—O97	2.407 (13)	Mn4—O81	1.944 (12)
Na1—O148	2.736 (14)	Mn4—O123	2.043 (9)
Na1—O151	2.369 (13)	Mn4—O169^vii	2.018 (12)
Ca1—O19	2.377 (11)	Mn4—O175^vii	1.961 (9)
Ca1—O29	2.471 (10)	Fe4—O4	1.950 (13)
Ca1—O55	2.394 (12)	Fe4—O37	1.959 (12)
Ca1—F1	2.245 (11)	Fe4—O81	1.944 (12)
Ca1—O97	2.407 (13)	Fe4—O123	2.043 (9)
Ca1—O148	2.736 (14)	Fe4—O169^vii	2.018 (12)
Ca1—O151	2.369 (13)	Fe4—O175^vii	1.961 (9)
Na2—O20	2.303 (11)	Ti4—O4	1.950 (13)
Na2—O50	2.513 (10)	Ti4—O37	1.959 (12)
Na2—O52	2.368 (12)	Ti4—O81	1.944 (12)
Na2—O53	2.454 (13)	Ti4—O123	2.043 (9)
Na2—O73	2.654 (14)	Ti4—O169^vii	2.018 (12)
Na2—O95	2.317 (13)	Ti4—O175^vii	1.961 (9)
Na2—O143	2.347 (13)	Nb5—O18	1.978 (13)
Ca2—O20	2.303 (11)	Nb5—O68	2.070 (13)
Ca2—O50	2.513 (10)	Nb5—O89	1.926 (9)
Ca2—O52	2.368 (12)	Nb5—O118	2.003 (13)
Ca2—O53	2.454 (13)	Nb5—O140	1.987 (13)
Ca2—O73	2.654 (14)	Nb5—O143	1.786 (10)
Ca2—O95	2.317 (13)	Mn5—O18	1.978 (13)
Ca2—O143	2.347 (13)	Mn5—O68	2.070 (13)
Na3—O52	2.152 (13)	Mn5—O89	1.926 (9)
Na3—O68	2.661 (10)	Mn5—O118	2.003 (13)
Na3—O98	2.410 (13)	Mn5—O140	1.987 (13)
Na3—O143	2.386 (12)	Mn5—O143	1.786 (10)
Na3—F2	2.258 (12)	Fe5—O18	1.978 (13)
Na3—O167	2.517 (14)	Fe5—O68	2.070 (13)
Na3—O200	2.446 (11)	Fe5—O89	1.926 (9)
Ca3—O52	2.152 (13)	Fe5—O118	2.003 (13)
Ca3—O68	2.661 (10)	Fe5—O140	1.987 (13)
Ca3—O98	2.410 (13)	Fe5—O143	1.786 (10)
Ca3—O143	2.386 (12)	Ti5—O18	1.978 (13)
Ca3—F2	2.258 (12)	Ti5—O68	2.070 (13)
Ca3—O167	2.517 (14)	Ti5—O89	1.926 (9)
Ca3—O200	2.446 (11)	Ti5—O118	2.003 (13)
Na4—O55	2.128 (13)	Ti5—O140	1.987 (13)
Na4—O57	2.629 (10)	Ti5—O143	1.786 (10)
Na4—O83^vii	2.399 (14)	Nb6—O1	2.002 (9)
Na4—O151	2.314 (12)	Nb6—O119	1.768 (14)
Na4—O180	2.483 (14)	Nb6—O147	2.031 (12)
Na4—O183	2.372 (11)	Nb6—O153	1.946 (12)
Na4—F3	2.292 (12)	Nb6—O181	1.884 (9)
Ca4—O55	2.128 (13)	Nb6—O186	1.941 (13)
Ca4—O57	2.629 (10)	Fe6—O1	2.002 (9)
Ca4—O83^vii	2.399 (14)	Fe6—O119	1.768 (14)
Ca4—O151	2.314 (12)	Fe6—O147	2.031 (12)
Ca4—O180	2.483 (14)	Fe6—O153	1.946 (12)
Ca4—O183	2.372 (11)	Fe6—O181	1.884 (9)
Ca4—F3	2.292 (12)	Fe6—O186	1.941 (13)
Na5—O20^xi	2.397 (13)	Mn6—O1	2.002 (9)
Na5—O55	2.244 (13)	Mn6—O119	1.768 (14)
Na5—O79	2.460 (11)	Mn6—O147	2.031 (12)
Na5—O95^xi	2.320 (12)	Mn6—O153	1.946 (12)
Na5—O97	2.434 (11)	Mn6—O181	1.884 (9)
Na5—F3	2.397 (11)	Mn6—O186	1.941 (13)
Ca5—O20^xi	2.397 (13)	Ti6—O1	2.002 (9)
Ca5—O55	2.244 (13)	Ti6—O119	1.768 (14)
Ca5—O79	2.460 (11)	Ti6—O147	2.031 (12)
Ca5—O95^xi	2.320 (12)	Ti6—O153	1.946 (12)
Ca5—O97	2.434 (11)	Ti6—O181	1.884 (9)
Ca5—F3	2.397 (11)	Ti6—O186	1.941 (13)
Na6—O59	2.498 (11)	Nb7—O26	1.978 (13)
Na6—F1	2.316 (12)	Nb7—O47	1.939 (13)
Na6—O83^vii	2.387 (11)	Nb7—O50	1.916 (13)
Na6—O151	2.374 (13)	Nb7—O52	1.979 (10)
Na6—F2	2.274 (10)	Nb7—O60	1.985 (13)
Na6—O170	2.485 (14)	Nb7—O154	1.990 (9)
Na6—O200	2.420 (13)	Mn7—O26	1.978 (13)
Ca6—O59	2.498 (11)	Mn7—O47	1.939 (13)
Ca6—F1	2.316 (12)	Mn7—O50	1.916 (13)
Ca6—O83^vii	2.387 (11)	Mn7—O52	1.979 (10)
Ca6—O151	2.374 (13)	Mn7—O60	1.985 (13)
Ca6—F2	2.274 (10)	Mn7—O154	1.990 (9)
Ca6—O170	2.485 (14)	Fe7—O26	1.978 (13)
Ca6—O200	2.420 (13)	Fe7—O47	1.939 (13)
Na7—O18	2.618 (11)	Fe7—O50	1.916 (13)
Na7—O95	2.192 (13)	Fe7—O52	1.979 (10)
Na7—O98	2.444 (12)	Fe7—O60	1.985 (13)
Na7—O143	2.337 (14)	Fe7—O154	1.990 (9)
Na7—O163	2.465 (14)	Ti7—O26	1.978 (13)
Na7—O183^i	2.438 (14)	Ti7—O47	1.939 (13)
Na7—F3^i	2.284 (11)	Ti7—O50	1.916 (13)
Ca7—O18	2.618 (11)	Ti7—O52	1.979 (10)
Ca7—O95	2.192 (13)	Ti7—O60	1.985 (13)
Ca7—O98	2.444 (12)	Ti7—O154	1.990 (9)
Ca7—O143	2.337 (14)	Fe8—O57	1.963 (13)
Ca7—O163	2.465 (14)	Fe8—O59	2.044 (13)
Ca7—O183^i	2.438 (14)	Fe8—O104	1.915 (9)
Ca7—F3^i	2.284 (11)	Fe8—O142	2.071 (13)
Na8—O45	2.338 (10)	Fe8—O151	1.761 (10)
Na8—O46	2.411 (15)	Fe8—O157	2.041 (13)
Na8—O117	2.403 (13)	Mn8—O57	1.963 (13)
Na8—O119	2.435 (13)	Mn8—O59	2.044 (13)
Na8—O146	2.331 (10)	Mn8—O104	1.915 (9)
Na8—O153	2.598 (15)	Mn8—O142	2.071 (13)
Na8—O177	2.582 (14)	Mn8—O151	1.761 (10)
Ca8—O45	2.338 (10)	Mn8—O157	2.041 (13)
Ca8—O46	2.411 (15)	Nb8—O57	1.963 (13)
Ca8—O117	2.403 (13)	Nb8—O59	2.044 (13)
Ca8—O119	2.435 (13)	Nb8—O104	1.915 (9)
Ca8—O146	2.331 (10)	Nb8—O142	2.071 (13)
Ca8—O153	2.598 (15)	Nb8—O151	1.761 (10)
Ca8—O177	2.582 (14)	Nb8—O157	2.041 (13)
Na9—O23^i	2.407 (10)	Ti8—O57	1.963 (13)
Na9—O107^i	2.458 (15)	Ti8—O59	2.044 (13)
Na9—O110	2.446 (14)	Ti8—O104	1.915 (9)
Na9—O133	2.728 (14)	Ti8—O142	2.071 (13)
Na9—O166^i	2.373 (13)	Ti8—O151	1.761 (10)
Na9—O171	2.602 (15)	Ti8—O157	2.041 (13)
Na9—O185	2.360 (10)	Fep—O103^iv	1.998 (11)
Ca9—O23^i	2.407 (10)	Fep—O125	2.102 (11)
Ca9—O107^i	2.458 (15)	Fep—O139	2.016 (12)
Ca9—O110	2.446 (14)	Fep—O190^v	1.999 (8)
Ca9—O133	2.728 (14)	Mnp—O103^iv	1.998 (11)
Ca9—O166^i	2.373 (13)	Mnp—O125	2.102 (11)
Ca9—O171	2.602 (15)	Mnp—O139	2.016 (12)
Ca9—O185	2.360 (10)	Mnp—O189	2.455 (13)
Na10—O19	2.416 (14)	Mnp—O190^v	1.999 (8)
Na10—O52	2.287 (14)	Si1—O18	1.639 (15)
Na10—O53	2.357 (12)	Si1—O37	1.574 (13)
Na10—O60	2.443 (12)	Si1—O72	1.697 (11)
Na10—F1	2.285 (11)	Si1—O163	1.670 (11)
Na10—F2	2.519 (12)	Si2—O21^vi	1.654 (13)
Ca10—O19	2.416 (14)	Si2—O26	1.572 (14)
Ca10—O52	2.287 (14)	Si2—O86^i	1.641 (12)
Ca10—O53	2.357 (12)	Si2—O98	1.518 (11)
Ca10—O60	2.443 (12)	Si3—O14	1.636 (15)
Ca10—F1	2.285 (11)	Si3—O78	1.631 (9)
Ca10—F2	2.519 (12)	Si3—O121	1.622 (12)
Na11—O2	2.476 (14)	Si3—O122	1.621 (14)
Na11—O23	2.364 (13)	Si4—O3	1.640 (12)
Na11—O108	2.463 (14)	Si4—O22	1.633 (14)
Na11—O117	2.327 (10)	Si4—O100	1.669 (11)
Na11—O146	2.368 (13)	Si4—O111	1.636 (14)
Na11—O148	2.699 (13)	Si5—O24	1.644 (13)
Na11—O166	2.424 (9)	Si5—O31	1.603 (11)
Ca11—O2	2.476 (14)	Si5—O59	1.626 (15)
Ca11—O23	2.364 (13)	Si5—O170	1.632 (11)
Ca11—O108	2.463 (14)	Si6—O25	1.625 (13)
Ca11—O117	2.327 (10)	Si6—O67	1.553 (11)
Ca11—O146	2.368 (13)	Si6—O91	1.619 (12)
Ca11—O148	2.699 (13)	Si6—O128	1.609 (14)
Ca11—O166	2.424 (9)	Si7—O57	1.585 (15)
Na12—O1	2.483 (14)	Si7—O72^xi	1.585 (12)
Na12—O45	2.469 (13)	Si7—O132	1.573 (12)
Na12—O101	2.445 (14)	Si7—O180	1.574 (12)
Na12—O110	2.378 (10)	Si8—O32^iii	1.616 (13)
Na12—O119	2.393 (9)	Si8—O33	1.676 (12)
Na12—O185	2.296 (13)	Si8—O36	1.630 (13)
Ca12—O1	2.483 (14)	Si8—O83	1.543 (11)
Ca12—O45	2.469 (13)	Si9—O11	1.592 (15)
Ca12—O101	2.445 (14)	Si9—O109	1.591 (14)
Ca12—O110	2.378 (10)	Si9—O150	1.600 (11)
Ca12—O119	2.393 (9)	Si9—O195	1.644 (11)
Ca12—O185	2.296 (13)	Si10—O9	1.670 (14)
Na13—O5^iii	2.497 (14)	Si10—O44	1.654 (13)
Na13—O24^iii	2.419 (16)	Si10—O93	1.553 (11)
Na13—O76	2.453 (14)	Si10—O159	1.652 (12)
Na13—O82	2.508 (11)	Si11—O6	1.642 (12)
Na13—O105	2.268 (10)	Si11—O16	1.651 (14)
Na13—O188	2.664 (16)	Si11—O128	1.633 (14)
Ca13—O5^iii	2.497 (14)	Si11—O178	1.612 (11)
Ca13—O24^iii	2.419 (16)	Si12—O13^xi	1.566 (15)
Ca13—O76	2.453 (14)	Si12—O75	1.614 (14)
Ca13—O82	2.508 (11)	Si12—O149	1.712 (11)
Ca13—O105	2.268 (10)	Si12—O168	1.617 (11)
Ca13—O188	2.664 (16)	Si13—O103	1.633 (11)
Na14—O4^iii	2.362 (10)	Si13—O114^ii	1.571 (11)
Na14—O35	2.292 (14)	Si13—O154	1.599 (13)
Na14—O76	2.272 (10)	Si13—O186	1.547 (14)
Na14—O105	2.286 (14)	Si14—O7	1.662 (14)
Na14—O123^iii	2.576 (15)	Si14—O102	1.580 (14)
Na14—F5	2.525 (14)	Si14—O124	1.626 (12)
Ca14—O4^iii	2.362 (10)	Si14—O161	1.567 (11)
Ca14—O35	2.292 (14)	Si15—O8^vii	1.620 (14)
Ca14—O76	2.272 (10)	Si15—O48	1.630 (15)
Ca14—O105	2.286 (14)	Si15—O86	1.616 (11)
Ca14—O123^iii	2.576 (15)	Si15—O183	1.571 (10)
Ca14—F5	2.525 (14)	Si16—O15	1.658 (14)
Na15—O4^xii	2.399 (14)	Si16—O49	1.650 (12)
Na15—O35^i	2.539 (11)	Si16—O87	1.565 (11)
Na15—O37^xii	2.550 (16)	Si16—O150^ii	1.628 (13)
Na15—O77	2.388 (14)	Si17—O43	1.556 (15)
Na15—O92	2.241 (10)	Si17—O54	1.625 (11)
Na15—O179^i	2.574 (16)	Si17—O94	1.644 (14)
Ca15—O4^xii	2.399 (14)	Si17—O96	1.635 (11)
Ca15—O35^i	2.539 (11)	Si18—O104	1.569 (11)
Ca15—O37^xii	2.550 (16)	Si18—O114	1.695 (12)
Ca15—O77	2.388 (14)	Si18—O125	1.600 (10)
Ca15—O92	2.241 (10)	Si18—O152	1.618 (15)
Ca15—O179^i	2.574 (16)	Si19—O34	1.672 (12)
Na16—O5^iii	2.237 (11)	Si19—O110	1.566 (15)
Na16—O77	2.324 (10)	Si19—O162	1.589 (14)
Na16—O82	2.411 (14)	Si19—O168^i	1.647 (9)
Na16—O92	2.203 (15)	Si20—O10	1.620 (15)
Na16—O132^iii	2.612 (16)	Si20—O38	1.611 (9)
Na16—F4	2.512 (15)	Si20—O106	1.608 (12)
Ca16—O5^iii	2.237 (11)	Si20—O147	1.637 (14)
Ca16—O77	2.324 (10)	Si21—O19	1.605 (10)
Ca16—O82	2.411 (14)	Si21—O112	1.649 (10)
Ca16—O92	2.203 (15)	Si21—O124	1.692 (14)
Ca16—O132^iii	2.612 (16)	Si21—O157	1.588 (14)
Ca16—F4	2.512 (15)	Si22—O3	1.617 (14)
Na17—O74	2.368 (9)	Si22—O49	1.704 (14)
Na17—O82	2.297 (13)	Si22—O58	1.650 (11)
Na17—O83	2.473 (14)	Si22—O91	1.594 (10)
Na17—O136	2.275 (13)	Si23—O2	1.629 (11)
Na17—O170^iii	2.400 (11)	Si23—O29	1.618 (15)
Na17—O180^iii	2.474 (13)	Si23—O129	1.695 (12)
Ca17—O74	2.368 (9)	Si23—O148	1.638 (13)
Ca17—O82	2.297 (13)	Si24—O138	1.545 (11)
Ca17—O83	2.473 (14)	Si24—O155	1.587 (15)
Ca17—O136	2.275 (13)	Si24—O160	1.668 (13)
Ca17—O170^iii	2.400 (11)	Si24—O190	1.649 (11)
Ca17—O180^iii	2.474 (13)	Si25—O1	1.676 (11)
Na18—O14	2.336 (13)	Si25—O50	1.584 (15)
Na18—O71	2.314 (14)	Si25—O73	1.617 (13)
Na18—O145	2.294 (10)	Si25—O135	1.679 (12)
Na18—O173	2.378 (10)	Si26—O134	1.632 (15)
Na18—O176	2.407 (13)	Si26—O158	1.650 (13)
Na18—O197	2.469 (13)	Si26—O194	1.622 (14)
Ca18—O14	2.336 (13)	Si26—O198	1.619 (10)
Ca18—O71	2.314 (14)	Si27—O6	1.630 (14)
Ca18—O145	2.294 (10)	Si27—O63	1.675 (14)
Ca18—O173	2.378 (10)	Si27—O66	1.652 (10)
Ca18—O176	2.407 (13)	Si27—O71	1.640 (11)
Ca18—O197	2.469 (13)	Si28—O30	1.573 (10)
Ca19—O74	2.301 (13)	Si28—O80	1.682 (13)
Ca19—O77	2.313 (13)	Si28—O144	1.644 (15)
Ca19—O127	2.288 (11)	Si28—O188	1.665 (12)
Ca19—O163^xii	2.302 (13)	Si29—O65	1.677 (14)
Ca19—O180^iii	2.380 (11)	Si29—O84	1.615 (15)
Ca19—O183^iii	2.395 (14)	Si29—O85	1.695 (11)
Na19—O74	2.301 (13)	Si29—O131	1.619 (11)
Na19—O77	2.313 (13)	Si30—O15^xi	1.657 (13)
Na19—O127	2.288 (11)	Si30—O51^xi	1.608 (11)
Na19—O163^xii	2.302 (13)	Si30—O66	1.587 (12)
Na19—O180^iii	2.380 (11)	Si30—O111^xi	1.619 (14)
Na19—O183^iii	2.395 (14)	Si31—O7^ii	1.610 (11)
Ca20—O76	2.229 (13)	Si31—O27	1.687 (13)
Ca20—O116^iv	2.286 (12)	Si31—O38	1.605 (12)
Ca20—O136	2.232 (11)	Si31—O164	1.627 (15)
Ca20—O167^iii	2.443 (10)	Si32—O61	1.567 (10)
Ca20—O170^iii	2.363 (13)	Si32—O69^xi	1.653 (13)
Ca20—O200^iii	2.475 (14)	Si32—O88	1.621 (15)
Na20—O76	2.229 (13)	Si32—O179	1.657 (12)
Na20—O116^iv	2.286 (12)	Si33—O115	1.669 (12)
Na20—O136	2.232 (11)	Si33—O117	1.633 (15)
Na20—O167^iii	2.443 (10)	Si33—O130	1.525 (14)
Na20—O170^iii	2.363 (13)	Si33—O195	1.664 (9)
Na20—O200^iii	2.475 (14)	Si34—O12^vi	1.643 (14)
Ca21—O43	2.369 (11)	Si34—O33^vii	1.585 (11)
Ca21—O56	2.514 (13)	Si34—O47	1.604 (14)
Ca21—O71	2.333 (13)	Si34—O200	1.502 (10)
Ca21—O137	2.578 (10)	Si35—O28	1.655 (11)
Ca21—O178	2.242 (12)	Si35—O35	1.565 (14)
Ca21—O196	2.324 (13)	Si35—O40	1.633 (12)
Na21—O43	2.369 (11)	Si35—O61	1.607 (13)
Na21—O56	2.514 (13)	Si36—O20	1.646 (10)
Na21—O71	2.333 (13)	Si36—O140	1.617 (14)
Na21—O137	2.578 (10)	Si36—O159	1.620 (14)
Na21—O178	2.242 (12)	Si36—O193^i	1.676 (10)
Na21—O196	2.324 (13)	Si37—O70	1.660 (13)
Ca22—O14	2.379 (10)	Si37—O137	1.656 (15)
Ca22—O42	2.360 (13)	Si37—O145	1.584 (14)
Ca22—O46	2.496 (10)	Si37—O187	1.567 (10)
Ca22—O108	2.323 (13)	Si38—O31	1.618 (12)
Ca22—O145	2.401 (14)	Si38—O68	1.606 (15)
Ca22—O146	2.136 (15)	Si38—O123	1.544 (12)
Na22—O14	2.379 (10)	Si38—O167	1.577 (12)
Na22—O42	2.360 (13)	Si39—O25	1.638 (14)
Na22—O46	2.496 (10)	Si39—O63	1.641 (12)
Na22—O108	2.323 (13)	Si39—O149^ii	1.619 (13)
Na22—O145	2.401 (14)	Si39—O176	1.590 (11)
Na22—O146	2.136 (15)	Si40—O79^i	1.580 (15)
Ca23—O14	2.252 (13)	Si40—O133	1.669 (12)
Ca23—O41	2.154 (10)	Si40—O135	1.662 (11)
Ca23—O107	2.161 (13)	Si40—O171	1.611 (13)
Ca23—O108	2.020 (10)	Si41—O56	1.631 (14)
Ca23—O166	1.898 (14)	Si41—O70	1.698 (10)
Ca23—O197	2.132 (14)	Si41—O172	1.570 (12)
Na23—O14	2.252 (13)	Si41—O197	1.634 (14)
Na23—O41	2.154 (10)	Si42—O8	1.609 (12)
Na23—O107	2.161 (13)	Si42—O36	1.654 (13)
Na23—O108	2.020 (10)	Si42—O54^v	1.642 (14)
Na23—O166	1.898 (14)	Si42—O74	1.558 (11)
Na23—O197	2.132 (14)	Si43—O34	1.626 (11)
Ca24—O35^ii	2.314 (13)	Si43—O45	1.642 (14)
Ca24—O98^xiii	2.407 (14)	Si43—O109	1.700 (12)
Ca24—O116	2.463 (10)	Si43—O156	1.544 (13)
Ca24—O127^ix	2.288 (13)	Si44—O23	1.601 (14)
Ca24—O163^xiii	2.379 (11)	Si44—O75	1.660 (12)
Ca24—O167^xiii	2.333 (13)	Si44—O115	1.616 (11)
Na24—O35^ii	2.314 (13)	Si44—O165	1.587 (13)
Na24—O98^xiii	2.407 (14)	Si45—O30	1.612 (13)
Na24—O116	2.463 (10)	Si45—O39	1.602 (11)
Na24—O127^ix	2.288 (13)	Si45—O82	1.527 (14)
Na24—O163^xiii	2.379 (11)	Si45—O99	1.661 (12)
Na24—O167^xiii	2.333 (13)	Si46—O60	1.586 (14)
Ca25—O41^i	2.351 (13)	Si46—O129	1.601 (11)
Ca25—O51	2.321 (14)	Si46—O153	1.656 (13)
Ca25—O87	2.320 (10)	Si46—O177	1.627 (13)
Ca25—O173^i	2.408 (13)	Si47—O9^ix	1.574 (11)
Ca25—O194	2.301 (13)	Si47—O17	1.540 (14)
Ca25—O197^i	2.406 (9)	Si47—O78	1.625 (11)
Na25—O41^i	2.351 (13)	Si47—O173	1.592 (15)
Na25—O51	2.321 (14)	Si48—O27	1.603 (12)
Na25—O87	2.320 (10)	Si48—O42	1.672 (14)
Na25—O173^i	2.408 (13)	Si48—O121	1.572 (11)
Na25—O194	2.301 (13)	Si48—O181	1.624 (13)
Na25—O197^i	2.406 (9)	Si49—O64	1.529 (14)
Ca26—O11	2.364 (13)	Si49—O141	1.638 (12)
Ca26—O45	2.338 (13)	Si49—O158	1.719 (10)
Ca26—O53	2.354 (14)	Si49—O182	1.615 (14)
Ca26—O73	2.468 (13)	Si50—O12	1.598 (12)
Ca26—O93	2.358 (10)	Si50—O21	1.640 (13)
Ca26—O177	2.388 (10)	Si50—O85	1.622 (14)
Na26—O11	2.364 (13)	Si50—O116	1.567 (11)
Na26—O45	2.338 (13)	Si51—O97	1.626 (11)
Na26—O53	2.354 (14)	Si51—O102	1.642 (14)
Na26—O73	2.468 (13)	Si51—O142	1.645 (13)
Na26—O93	2.358 (10)	Si51—O193	1.639 (13)
Na26—O177	2.388 (10)	Si52—O94	1.612 (12)
Ca27—O10	2.297 (13)	Si52—O126	1.643 (14)
Ca27—O58	2.251 (14)	Si52—O175	1.630 (13)
Ca27—O87	2.437 (13)	Si52—O199^x	1.658 (11)
Ca27—O164	2.359 (10)	Si53—O39	1.608 (12)
Ca27—O182	2.451 (13)	Si53—O62	1.649 (9)
Ca27—O194	2.288 (10)	Si53—O69	1.645 (14)
Na27—O10	2.297 (13)	Si53—O77	1.592 (14)
Na27—O58	2.251 (14)	Si54—O44	1.663 (13)
Na27—O87	2.437 (13)	Si54—O53	1.607 (11)
Na27—O164	2.359 (10)	Si54—O112	1.674 (13)
Na27—O182	2.451 (13)	Si54—O118	1.628 (13)
Na27—O194	2.288 (10)	Si55—O17	1.631 (12)
Ca28—O10	2.302 (13)	Si55—O41	1.627 (14)
Ca28—O42	2.185 (10)	Si55—O106^xi	1.643 (11)
Ca28—O46	2.204 (13)	Si55—O113	1.611 (13)
Ca28—O101	2.048 (10)	Si56—O65	1.665 (12)
Ca28—O119	2.124 (15)	Si56—O90	1.577 (14)
Ca28—O182	2.068 (14)	Si56—O184	1.610 (13)
Na28—O10	2.302 (13)	Si56—O191	1.654 (11)
Na28—O42	2.185 (10)	Si57—O28	1.641 (12)
Na28—O46	2.204 (13)	Si57—O76	1.621 (14)
Na28—O101	2.048 (10)	Si57—O80	1.666 (14)
Na28—O119	2.124 (15)	Si57—O120	1.637 (9)
Na28—O182	2.068 (14)	Si58—O81	1.639 (15)
Ca29—O11	2.365 (11)	Si58—O89	1.563 (13)
Ca29—O19	2.353 (14)	Si58—O139	1.618 (11)
Ca29—O117	2.347 (13)	Si58—O160^v	1.647 (10)
Ca29—O148	2.415 (10)	Si59—O22^iv	1.576 (11)
Ca29—O161	2.336 (13)	Si59—O99	1.624 (14)
Ca29—O177	2.342 (13)	Si59—O120	1.585 (11)
Na29—O11	2.365 (11)	Si59—O136	1.637 (15)
Na29—O19	2.353 (14)	Si60—O131^vi	1.679 (9)
Na29—O117	2.347 (13)	Si60—O174	1.583 (14)
Na29—O148	2.415 (10)	Si60—O192	1.598 (15)
Na29—O161	2.336 (13)	Si60—O199	1.616 (13)
Na29—O177	2.342 (13)	Si61—O96	1.712 (9)
Ca30—O13^xi	2.346 (13)	Si61—O169	1.589 (14)
Ca30—O23	2.407 (13)	Si61—O191	1.630 (12)
Ca30—O97	2.297 (14)	Si61—O196	1.556 (15)
Ca30—O133^xi	2.301 (10)	Si62—O16^v	1.665 (11)
Ca30—O148	2.327 (13)	Si62—O40^i	1.675 (13)
Ca30—O161	2.388 (10)	Si62—O62	1.539 (11)
Na30—O13^xi	2.346 (13)	Si62—O127	1.612 (15)
Na30—O23	2.407 (13)	K15—O21^vi	3.148 (14)
Na30—O97	2.297 (14)	K15—O26	3.233 (15)
Na30—O133^xi	2.301 (10)	K15—O65^vi	3.13 (2)
Na30—O148	2.327 (13)	K15—O152^ii	3.261 (14)
Na30—O161	2.388 (10)	K15—O154	3.02 (2)
Ca31—O64	2.451 (10)	K15—O184^vi	3.187 (17)
Ca31—O67	2.327 (14)	K16—O81^ix	3.021 (14)
Ca31—O84	2.322 (13)	K16—O94^viii	3.251 (19)
Ca31—O90	2.486 (13)	K16—O96^viii	3.27 (2)
Ca31—O137	2.281 (13)	K16—O138	2.92 (2)
Ca31—O178	2.433 (10)	K16—O160	3.145 (18)
Na31—O64	2.451 (10)	K16—O169^viii	3.165 (15)
Na31—O67	2.327 (14)	K16—O175^viii	3.213 (18)
Na31—O84	2.322 (13)	K17—O17	3.29 (2)
Na31—O90	2.486 (13)	K17—O44^ix	3.179 (14)
Na31—O137	2.281 (13)	K17—O89^ix	3.06 (2)
Na31—O178	2.433 (10)	K17—O113	2.944 (18)
Ca32—O13	2.348 (11)	K17—O118^ix	3.080 (14)
Ca32—O20	2.368 (14)	K17—O122	3.168 (15)
Ca32—O73	2.355 (10)	K17—O155	2.902 (14)
Ca32—O93	2.348 (13)	K18—O38	3.18 (2)
Ca32—O110	2.372 (13)	K18—O102^ii	3.306 (13)
Ca32—O133	2.365 (13)	K18—O104^ii	2.90 (2)
Na32—O13	2.348 (11)	K18—O124^ii	3.099 (17)
Na32—O20	2.368 (14)	K18—O142^ii	3.163 (14)
Na32—O73	2.355 (10)	K18—O147	3.000 (15)
Na32—O93	2.348 (13)	K18—O157^ii	3.032 (17)
Na32—O110	2.372 (13)	K18—O186	2.986 (15)
Na32—O133	2.365 (13)	K18—O189^ii	3.288 (15)
Ca33—O42	2.389 (13)	K19—O125^ii	3.199 (13)
Ca33—O67	2.343 (14)	K19—O139^ii	3.308 (16)
Ca33—O145	2.328 (13)	K20—O15^iv	3.235 (14)
Ca33—O164	2.355 (13)	K20—O30	3.163 (19)
Ca33—O176	2.347 (10)	K20—O109	2.89 (2)
Ca33—O182	2.449 (9)	K20—O144	2.701 (15)
Na33—O42	2.389 (13)	K20—O156	3.012 (18)
Na33—O67	2.343 (14)	K20—O195	3.243 (19)
Na33—O145	2.328 (13)	K21—O25^iv	3.237 (15)
Na33—O164	2.355 (13)	K21—O61	3.026 (19)
Na33—O176	2.347 (10)	K21—O75	2.93 (2)
Na33—O182	2.449 (9)	K21—O88	2.713 (14)
Ca34—O43	2.364 (13)	K21—O165	3.027 (18)
Ca34—O51^xi	2.331 (14)	H1o189—O189	0.96
Ca34—O56	2.359 (10)	H2o189—O189	0.96
O31—Ba1—O59	54.1 (3)	O41^i—Na25—O173^i	87.8 (4)
O31—Ba1—O68	53.5 (3)	O41^i—Na25—O194	82.7 (4)
O31—Ba1—O112	148.6 (3)	O41^i—Na25—O197^i	75.0 (4)
O31—Ba1—O118	117.0 (4)	O51—Na25—O87	92.3 (4)
O31—Ba1—O125	73.8 (3)	O51—Na25—O173^i	94.9 (4)
O31—Ba1—O139	76.9 (3)	O51—Na25—O194	95.0 (5)
O31—Ba1—O157	116.0 (3)	O51—Na25—O197^i	93.8 (4)
O31—Ba1—F2	72.6 (3)	O87—Na25—O173^i	95.8 (4)
O31—Ba1—O189	143.4 (3)	O87—Na25—O194	82.7 (4)
O59—Ba1—O68	100.2 (4)	O87—Na25—O197^i	173.8 (5)
O59—Ba1—O112	110.8 (3)	O173^i—Na25—O194	170.0 (5)
O59—Ba1—O118	141.6 (3)	O173^i—Na25—O197^i	83.2 (4)
O59—Ba1—O125	74.4 (3)	O194—Na25—O197^i	97.3 (4)
O59—Ba1—O139	116.3 (4)	O11—Ca26—O45	85.7 (5)
O59—Ba1—O157	62.2 (3)	O11—Ca26—O53	99.2 (4)
O59—Ba1—F2	65.2 (3)	O11—Ca26—O73	173.5 (5)
O59—Ba1—O189	127.3 (3)	O11—Ca26—O93	98.4 (4)
O68—Ba1—O112	113.1 (3)	O11—Ca26—O177	82.2 (4)
O68—Ba1—O118	64.0 (4)	O45—Ca26—O53	171.6 (4)
O68—Ba1—O125	111.7 (4)	O45—Ca26—O73	88.1 (4)
O68—Ba1—O139	73.7 (3)	O45—Ca26—O93	100.0 (4)
O68—Ba1—O157	142.3 (3)	O45—Ca26—O177	83.4 (4)
O68—Ba1—F2	65.7 (3)	O53—Ca26—O73	87.1 (4)
O68—Ba1—O189	129.9 (3)	O53—Ca26—O93	86.1 (4)
O112—Ba1—O118	54.8 (3)	O53—Ca26—O177	90.5 (4)
O112—Ba1—O125	132.9 (4)	O73—Ca26—O93	80.6 (4)
O112—Ba1—O139	130.3 (3)	O73—Ca26—O177	99.2 (4)
O112—Ba1—O157	54.3 (3)	O93—Ca26—O177	176.6 (5)
O112—Ba1—F2	76.0 (3)	O11—Na26—O45	85.7 (5)
O112—Ba1—O189	68.0 (3)	O11—Na26—O53	99.2 (4)
O118—Ba1—O125	143.1 (2)	O11—Na26—O73	173.5 (5)
O118—Ba1—O139	93.6 (3)	O11—Na26—O93	98.4 (4)
O118—Ba1—O157	108.0 (4)	O11—Na26—O177	82.2 (4)
O118—Ba1—F2	76.5 (3)	O45—Na26—O53	171.6 (4)
O118—Ba1—O189	83.4 (3)	O45—Na26—O73	88.1 (4)
O125—Ba1—O139	52.8 (3)	O45—Na26—O93	100.0 (4)
O125—Ba1—O157	95.9 (3)	O45—Na26—O177	83.4 (4)
O125—Ba1—F2	137.7 (3)	O53—Na26—O73	87.1 (4)
O125—Ba1—O189	72.6 (3)	O53—Na26—O93	86.1 (4)
O139—Ba1—O157	143.3 (3)	O53—Na26—O177	90.5 (4)
O139—Ba1—F2	138.5 (4)	O73—Na26—O93	80.6 (4)
O139—Ba1—O189	71.5 (3)	O73—Na26—O177	99.2 (4)
O157—Ba1—F2	76.6 (3)	O93—Na26—O177	176.6 (5)
O157—Ba1—O189	81.7 (3)	O10—Ca27—O58	168.3 (5)
F2—Ba1—O189	143.9 (4)	O10—Ca27—O87	97.4 (5)
O31—Sr1—O59	54.1 (3)	O10—Ca27—O164	89.9 (4)
O31—Sr1—O68	53.5 (3)	O10—Ca27—O182	77.1 (4)
O31—Sr1—O112	148.6 (3)	O10—Ca27—O194	81.8 (4)
O31—Sr1—O118	117.0 (4)	O58—Ca27—O87	92.8 (4)
O31—Sr1—O139	76.9 (3)	O58—Ca27—O164	94.1 (4)
O31—Sr1—O157	116.0 (3)	O58—Ca27—O182	92.6 (5)
O31—Sr1—F2	72.6 (3)	O58—Ca27—O194	94.2 (4)
O59—Sr1—O68	100.2 (4)	O87—Ca27—O164	100.2 (4)
O59—Sr1—O112	110.8 (3)	O87—Ca27—O182	174.3 (5)
O59—Sr1—O118	141.6 (3)	O87—Ca27—O194	80.4 (4)
O59—Sr1—O139	116.3 (4)	O164—Ca27—O182	81.2 (4)
O59—Sr1—O157	62.2 (3)	O164—Ca27—O194	171.6 (5)
O59—Sr1—F2	65.2 (3)	O182—Ca27—O194	97.4 (4)
O68—Sr1—O112	113.1 (3)	O10—Na27—O58	168.3 (5)
O68—Sr1—O118	64.0 (4)	O10—Na27—O87	97.4 (5)
O68—Sr1—O139	73.7 (3)	O10—Na27—O164	89.9 (4)
O68—Sr1—O157	142.3 (3)	O10—Na27—O182	77.1 (4)
O68—Sr1—F2	65.7 (3)	O10—Na27—O194	81.8 (4)
O112—Sr1—O118	54.8 (3)	O58—Na27—O87	92.8 (4)
O112—Sr1—O139	130.3 (3)	O58—Na27—O164	94.1 (4)
O112—Sr1—O157	54.3 (3)	O58—Na27—O182	92.6 (5)
O112—Sr1—F2	76.0 (3)	O58—Na27—O194	94.2 (4)
O118—Sr1—O139	93.6 (3)	O87—Na27—O164	100.2 (4)
O118—Sr1—O157	108.0 (4)	O87—Na27—O182	174.3 (5)
O118—Sr1—F2	76.5 (3)	O87—Na27—O194	80.4 (4)
O139—Sr1—O157	143.3 (3)	O164—Na27—O182	81.2 (4)
O139—Sr1—F2	138.5 (4)	O164—Na27—O194	171.6 (5)
O157—Sr1—F2	76.6 (3)	O182—Na27—O194	97.4 (4)
O1—Ba2—O103	75.0 (3)	O10—Ca28—O42	106.5 (4)
O1—Ba2—O106	106.9 (4)	O10—Ca28—O46	170.1 (4)
O1—Ba2—O113^i	142.7 (4)	O10—Ca28—O101	76.3 (4)
O1—Ba2—O135	55.1 (3)	O10—Ca28—O119	89.9 (5)
O1—Ba2—O147	62.6 (3)	O10—Ca28—O182	85.2 (5)
O1—Ba2—O171	100.5 (3)	O42—Ca28—O46	82.5 (4)
O1—Ba2—O185	66.4 (4)	O42—Ca28—O101	174.5 (6)
O1—Ba2—O189^ii	127.0 (3)	O42—Ca28—O119	89.3 (5)
O1—Ba2—O190^i	118.3 (4)	O42—Ca28—O182	87.8 (4)
O103—Ba2—O106	134.5 (3)	O46—Ca28—O101	94.3 (4)
O103—Ba2—O113^i	141.9 (4)	O46—Ca28—O119	86.1 (5)
O103—Ba2—O135	78.0 (3)	O46—Ca28—O182	99.5 (5)
O103—Ba2—O147	91.5 (3)	O101—Ca28—O119	86.0 (5)
O103—Ba2—O171	116.2 (3)	O101—Ca28—O182	97.2 (5)
O103—Ba2—O185	141.0 (3)	O119—Ca28—O182	173.3 (5)
O103—Ba2—O189^ii	72.3 (3)	O10—Na28—O42	106.5 (4)
O103—Ba2—O190^i	55.8 (3)	O10—Na28—O46	170.1 (4)
O106—Ba2—O113^i	55.4 (3)	O10—Na28—O101	76.3 (4)
O106—Ba2—O135	141.5 (4)	O10—Na28—O119	89.9 (5)
O106—Ba2—O147	54.5 (3)	O10—Na28—O182	85.2 (5)
O106—Ba2—O171	108.3 (4)	O42—Na28—O46	82.5 (4)
O106—Ba2—O185	65.8 (3)	O42—Na28—O101	174.5 (6)
O106—Ba2—O189^ii	71.5 (3)	O42—Na28—O119	89.3 (5)
O106—Ba2—O190^i	133.5 (3)	O42—Na28—O182	87.8 (4)
O113^i—Ba2—O135	115.5 (3)	O46—Na28—O101	94.3 (4)
O113^i—Ba2—O147	110.0 (4)	O46—Na28—O119	86.1 (5)
O113^i—Ba2—O171	62.7 (3)	O46—Na28—O182	99.5 (5)
O113^i—Ba2—O185	76.3 (4)	O101—Na28—O119	86.0 (5)
O113^i—Ba2—O189^ii	81.8 (3)	O101—Na28—O182	97.2 (5)
O113^i—Ba2—O190^i	90.6 (3)	O119—Na28—O182	173.3 (5)
O135—Ba2—O147	117.5 (3)	O11—Ca29—O19	100.7 (4)
O135—Ba2—O171	53.0 (3)	O11—Ca29—O117	89.0 (4)
O135—Ba2—O185	75.7 (4)	O11—Ca29—O148	171.6 (5)
O135—Ba2—O189^ii	147.0 (4)	O11—Ca29—O161	99.8 (4)
O135—Ba2—O190^i	78.5 (3)	O11—Ca29—O177	83.1 (4)
O147—Ba2—O171	143.6 (4)	O19—Ca29—O117	167.7 (4)
O147—Ba2—O185	75.9 (3)	O19—Ca29—O148	87.6 (4)
O147—Ba2—O189^ii	77.8 (3)	O19—Ca29—O161	85.1 (4)
O147—Ba2—O190^i	141.5 (3)	O19—Ca29—O177	90.8 (5)
O171—Ba2—O185	67.7 (3)	O117—Ca29—O148	82.8 (4)
O171—Ba2—O189^ii	131.1 (3)	O117—Ca29—O161	100.9 (5)
O171—Ba2—O190^i	74.7 (3)	O117—Ca29—O177	82.8 (4)
O185—Ba2—O189^ii	137.2 (4)	O148—Ca29—O161	80.4 (4)
O185—Ba2—O190^i	142.1 (3)	O148—Ca29—O177	97.2 (4)
O189^ii—Ba2—O190^i	73.2 (3)	O161—Ca29—O177	175.3 (6)
O1—Sr2—O103	75.0 (3)	O11—Na29—O19	100.7 (4)
O1—Sr2—O106	106.9 (4)	O11—Na29—O117	89.0 (4)
O1—Sr2—O113^i	142.7 (4)	O11—Na29—O148	171.6 (5)
O1—Sr2—O135	55.1 (3)	O11—Na29—O161	99.8 (4)
O1—Sr2—O147	62.6 (3)	O11—Na29—O177	83.1 (4)
O1—Sr2—O171	100.5 (3)	O19—Na29—O117	167.7 (4)
O1—Sr2—O185	66.4 (4)	O19—Na29—O148	87.6 (4)
O1—Sr2—O189^ii	127.0 (3)	O19—Na29—O161	85.1 (4)
O1—Sr2—O190^i	118.3 (4)	O19—Na29—O177	90.8 (5)
O103—Sr2—O106	134.5 (3)	O117—Na29—O148	82.8 (4)
O103—Sr2—O113^i	141.9 (4)	O117—Na29—O161	100.9 (5)
O103—Sr2—O135	78.0 (3)	O117—Na29—O177	82.8 (4)
O103—Sr2—O147	91.5 (3)	O148—Na29—O161	80.4 (4)
O103—Sr2—O171	116.2 (3)	O148—Na29—O177	97.2 (4)
O103—Sr2—O185	141.0 (3)	O161—Na29—O177	175.3 (6)
O103—Sr2—O189^ii	72.3 (3)	O13^xi—Ca30—O23	85.2 (4)
O103—Sr2—O190^i	55.8 (3)	O13^xi—Ca30—O97	99.2 (4)
O106—Sr2—O113^i	55.4 (3)	O13^xi—Ca30—O133^xi	81.7 (4)
O106—Sr2—O135	141.5 (4)	O13^xi—Ca30—O148	170.0 (5)
O106—Sr2—O147	54.5 (3)	O13^xi—Ca30—O161	99.2 (4)
O106—Sr2—O171	108.3 (4)	O23—Ca30—O97	173.0 (4)
O106—Sr2—O185	65.8 (3)	O23—Ca30—O133^xi	86.1 (4)
O106—Sr2—O189^ii	71.5 (3)	O23—Ca30—O148	84.9 (4)
O106—Sr2—O190^i	133.5 (3)	O23—Ca30—O161	98.3 (4)
O113^i—Sr2—O135	115.5 (3)	O97—Ca30—O133^xi	89.2 (4)
O113^i—Sr2—O147	110.0 (4)	O97—Ca30—O148	90.8 (5)
O113^i—Sr2—O171	62.7 (3)	O97—Ca30—O161	86.4 (4)
O113^i—Sr2—O185	76.3 (4)	O133^xi—Ca30—O148	98.7 (4)
O113^i—Sr2—O189^ii	81.8 (3)	O133^xi—Ca30—O161	175.6 (5)
O113^i—Sr2—O190^i	90.6 (3)	O148—Ca30—O161	81.2 (4)
O135—Sr2—O147	117.5 (3)	O13^xi—Na30—O23	85.2 (4)
O135—Sr2—O171	53.0 (3)	O13^xi—Na30—O97	99.2 (4)
O135—Sr2—O185	75.7 (4)	O13^xi—Na30—O133^xi	81.7 (4)
O135—Sr2—O189^ii	147.0 (4)	O13^xi—Na30—O148	170.0 (5)
O135—Sr2—O190^i	78.5 (3)	O13^xi—Na30—O161	99.2 (4)
O147—Sr2—O171	143.6 (4)	O23—Na30—O97	173.0 (4)
O147—Sr2—O185	75.9 (3)	O23—Na30—O133^xi	86.1 (4)
O147—Sr2—O189^ii	77.8 (3)	O23—Na30—O148	84.9 (4)
O147—Sr2—O190^i	141.5 (3)	O23—Na30—O161	98.3 (4)
O171—Sr2—O185	67.7 (3)	O97—Na30—O133^xi	89.2 (4)
O171—Sr2—O189^ii	131.1 (3)	O97—Na30—O148	90.8 (5)
O171—Sr2—O190^i	74.7 (3)	O97—Na30—O161	86.4 (4)
O185—Sr2—O189^ii	137.2 (4)	O133^xi—Na30—O148	98.7 (4)
O185—Sr2—O190^i	142.1 (3)	O133^xi—Na30—O161	175.6 (5)
O189^ii—Sr2—O190^i	73.2 (3)	O148—Na30—O161	81.2 (4)
O26—Ba3—O48^i	110.3 (4)	O64—Ca31—O67	92.4 (4)
O26—Ba3—O50	59.3 (4)	O64—Ca31—O84	85.5 (4)
O26—Ba3—O79^i	140.9 (3)	O64—Ca31—O90	83.6 (4)
O26—Ba3—O86^i	55.1 (3)	O64—Ca31—O137	89.6 (4)
O26—Ba3—O95	70.6 (3)	O64—Ca31—O178	171.5 (5)
O26—Ba3—O103	92.5 (3)	O67—Ca31—O84	94.2 (5)
O26—Ba3—O135	116.2 (4)	O67—Ca31—O90	175.2 (4)
O26—Ba3—O190^i	143.2 (3)	O67—Ca31—O137	99.3 (5)
O48^i—Ba3—O50	144.2 (3)	O67—Ca31—O178	86.6 (4)
O48^i—Ba3—O79^i	61.3 (4)	O84—Ca31—O90	88.3 (5)
O48^i—Ba3—O86^i	55.9 (3)	O84—Ca31—O137	165.8 (5)
O48^i—Ba3—O95	75.4 (3)	O84—Ca31—O178	103.0 (4)
O48^i—Ba3—O103	140.7 (3)	O90—Ca31—O137	77.9 (4)
O48^i—Ba3—O135	116.1 (3)	O90—Ca31—O178	96.9 (4)
O48^i—Ba3—O190^i	89.5 (3)	O137—Ca31—O178	82.3 (4)
O50—Ba3—O79^i	103.6 (4)	O64—Na31—O67	92.4 (4)
O50—Ba3—O86^i	109.1 (3)	O64—Na31—O84	85.5 (4)
O50—Ba3—O95	68.8 (3)	O64—Na31—O90	83.6 (4)
O50—Ba3—O103	74.9 (3)	O64—Na31—O137	89.6 (4)
O50—Ba3—O135	57.3 (3)	O64—Na31—O178	171.5 (5)
O50—Ba3—O190^i	119.6 (4)	O67—Na31—O84	94.2 (5)
O79^i—Ba3—O86^i	109.9 (3)	O67—Na31—O90	175.2 (4)
O79^i—Ba3—O95	70.4 (3)	O67—Na31—O137	99.3 (5)
O79^i—Ba3—O103	118.2 (4)	O67—Na31—O178	86.6 (4)
O79^i—Ba3—O135	54.9 (3)	O84—Na31—O90	88.3 (5)
O79^i—Ba3—O190^i	75.7 (3)	O84—Na31—O137	165.8 (5)
O86^i—Ba3—O95	67.0 (4)	O84—Na31—O178	103.0 (4)
O86^i—Ba3—O103	129.4 (3)	O90—Na31—O137	77.9 (4)
O86^i—Ba3—O135	148.2 (3)	O90—Na31—O178	96.9 (4)
O86^i—Ba3—O190^i	128.3 (4)	O137—Na31—O178	82.3 (4)
O95—Ba3—O103	143.6 (4)	O13—Ca32—O20	102.2 (4)
O95—Ba3—O135	81.3 (4)	O13—Ca32—O73	171.3 (5)
O95—Ba3—O190^i	146.1 (3)	O13—Ca32—O93	102.4 (4)
O103—Ba3—O135	77.8 (3)	O13—Ca32—O110	88.0 (4)
O103—Ba3—O190^i	55.9 (3)	O13—Ca32—O133	80.3 (4)
O135—Ba3—O190^i	78.4 (4)	O20—Ca32—O73	84.5 (4)
O26—Sr3—O48^i	110.3 (4)	O20—Ca32—O93	87.7 (4)
O26—Sr3—O50	59.3 (4)	O20—Ca32—O110	166.1 (4)
O26—Sr3—O79^i	140.9 (3)	O20—Ca32—O133	87.4 (5)
O26—Sr3—O86^i	55.1 (3)	O73—Ca32—O93	83.2 (4)
O26—Sr3—O95	70.6 (3)	O73—Ca32—O110	84.5 (4)
O26—Sr3—O103	92.5 (3)	O73—Ca32—O133	94.6 (4)
O26—Sr3—O135	116.2 (4)	O93—Ca32—O110	99.5 (5)
O26—Sr3—O190^i	143.2 (3)	O93—Ca32—O133	174.8 (6)
O48^i—Sr3—O50	144.2 (3)	O110—Ca32—O133	85.0 (4)
O48^i—Sr3—O79^i	61.3 (4)	O13—Na32—O20	102.2 (4)
O48^i—Sr3—O86^i	55.9 (3)	O13—Na32—O73	171.3 (5)
O48^i—Sr3—O95	75.4 (3)	O13—Na32—O93	102.4 (4)
O48^i—Sr3—O103	140.7 (3)	O13—Na32—O110	88.0 (4)
O48^i—Sr3—O135	116.1 (3)	O13—Na32—O133	80.3 (4)
O48^i—Sr3—O190^i	89.5 (3)	O20—Na32—O73	84.5 (4)
O50—Sr3—O79^i	103.6 (4)	O20—Na32—O93	87.7 (4)
O50—Sr3—O86^i	109.1 (3)	O20—Na32—O110	166.1 (4)
O50—Sr3—O95	68.8 (3)	O20—Na32—O133	87.4 (5)
O50—Sr3—O103	74.9 (3)	O73—Na32—O93	83.2 (4)
O50—Sr3—O135	57.3 (3)	O73—Na32—O110	84.5 (4)
O50—Sr3—O190^i	119.6 (4)	O73—Na32—O133	94.6 (4)
O79^i—Sr3—O86^i	109.9 (3)	O93—Na32—O110	99.5 (5)
O79^i—Sr3—O95	70.4 (3)	O93—Na32—O133	174.8 (6)
O79^i—Sr3—O103	118.2 (4)	O110—Na32—O133	85.0 (4)
O79^i—Sr3—O135	54.9 (3)	O42—Ca33—O67	168.4 (4)
O79^i—Sr3—O190^i	75.7 (3)	O42—Ca33—O145	84.7 (4)
O86^i—Sr3—O95	67.0 (4)	O42—Ca33—O164	88.6 (4)
O86^i—Sr3—O103	129.4 (3)	O42—Ca33—O176	98.2 (4)
O86^i—Sr3—O135	148.2 (3)	O42—Ca33—O182	75.1 (4)
O86^i—Sr3—O190^i	128.3 (4)	O67—Ca33—O145	94.0 (5)
O95—Sr3—O103	143.6 (4)	O67—Ca33—O164	92.8 (4)
O95—Sr3—O135	81.3 (4)	O67—Ca33—O176	93.1 (4)
O95—Sr3—O190^i	146.1 (3)	O67—Ca33—O182	93.7 (4)
O103—Sr3—O135	77.8 (3)	O145—Ca33—O164	173.1 (5)
O103—Sr3—O190^i	55.9 (3)	O145—Ca33—O176	82.5 (4)
O135—Sr3—O190^i	78.4 (4)	O145—Ca33—O182	98.2 (4)
O24^iii—Ba4—O31^iii	56.1 (3)	O164—Ca33—O176	97.0 (4)
O24^iii—Ba4—O105	66.0 (3)	O164—Ca33—O182	81.4 (4)
O24^iii—Ba4—O123^iii	99.4 (3)	O176—Ca33—O182	173.1 (5)
O24^iii—Ba4—O125^iii	80.5 (3)	O42—Na33—O67	168.4 (4)
O24^iii—Ba4—O139^iii	122.5 (4)	O42—Na33—O145	84.7 (4)
O24^iii—Ba4—O169	138.1 (4)	O42—Na33—O164	88.6 (4)
O24^iii—Ba4—O184	61.0 (3)	O42—Na33—O176	98.2 (4)
O24^iii—Ba4—O191	107.8 (4)	O42—Na33—O182	75.1 (4)
O31^iii—Ba4—O105	82.4 (4)	O67—Na33—O145	94.0 (5)
O31^iii—Ba4—O123^iii	54.4 (3)	O67—Na33—O164	92.8 (4)
O31^iii—Ba4—O125^iii	83.2 (4)	O67—Na33—O176	93.1 (4)
O31^iii—Ba4—O139^iii	80.1 (3)	O67—Na33—O182	93.7 (4)
O31^iii—Ba4—O169	116.8 (3)	O145—Na33—O164	173.1 (5)
O31^iii—Ba4—O184	117.0 (3)	O145—Na33—O176	82.5 (4)
O31^iii—Ba4—O191	146.8 (4)	O145—Na33—O182	98.2 (4)
O105—Ba4—O123^iii	69.4 (4)	O164—Na33—O176	97.0 (4)
O105—Ba4—O125^iii	146.1 (3)	O164—Na33—O182	81.4 (4)
O105—Ba4—O139^iii	147.9 (3)	O176—Na33—O182	173.1 (5)
O105—Ba4—O169	72.1 (3)	O43—Ca34—O51^xi	95.5 (4)
O105—Ba4—O184	70.2 (4)	O43—Ca34—O56	85.8 (4)
O105—Ba4—O191	64.4 (3)	O43—Ca34—O100^xi	101.8 (4)
O123^iii—Ba4—O125^iii	123.8 (4)	O43—Ca34—O126	88.9 (5)
O123^iii—Ba4—O139^iii	78.6 (3)	O43—Ca34—O134^xi	164.1 (4)
O123^iii—Ba4—O169	62.5 (3)	O51^xi—Ca34—O56	93.7 (4)
O123^iii—Ba4—O184	139.5 (4)	O51^xi—Ca34—O100^xi	89.2 (4)
O123^iii—Ba4—O191	108.2 (4)	O51^xi—Ca34—O126	172.5 (5)
O125^iii—Ba4—O139^iii	57.2 (3)	O51^xi—Ca34—O134^xi	98.4 (5)
O125^iii—Ba4—O169	141.4 (3)	O56—Ca34—O100^xi	171.5 (5)
O125^iii—Ba4—O184	89.6 (4)	O56—Ca34—O126	80.6 (4)
O125^iii—Ba4—O191	125.5 (3)	O56—Ca34—O134^xi	85.7 (4)
O139^iii—Ba4—O169	92.2 (3)	O100^xi—Ca34—O126	95.8 (4)
O139^iii—Ba4—O184	141.9 (4)	O100^xi—Ca34—O134^xi	86.0 (4)
O139^iii—Ba4—O191	127.7 (3)	O126—Ca34—O134^xi	76.4 (4)
O169—Ba4—O184	107.1 (4)	O43—Na34—O51^xi	95.5 (4)
O169—Ba4—O191	53.0 (3)	O43—Na34—O56	85.8 (4)
O184—Ba4—O191	54.8 (3)	O43—Na34—O100^xi	101.8 (4)
O24^iii—Sr4—O31^iii	56.1 (3)	O43—Na34—O126	88.9 (5)
O24^iii—Sr4—O105	66.0 (3)	O43—Na34—O134^xi	164.1 (4)
O24^iii—Sr4—O123^iii	99.4 (3)	O51^xi—Na34—O56	93.7 (4)
O24^iii—Sr4—O125^iii	80.5 (3)	O51^xi—Na34—O100^xi	89.2 (4)
O24^iii—Sr4—O139^iii	122.5 (4)	O51^xi—Na34—O126	172.5 (5)
O24^iii—Sr4—O169	138.1 (4)	O51^xi—Na34—O134^xi	98.4 (5)
O24^iii—Sr4—O184	61.0 (3)	O56—Na34—O100^xi	171.5 (5)
O31^iii—Sr4—O105	82.4 (4)	O56—Na34—O126	80.6 (4)
O31^iii—Sr4—O123^iii	54.4 (3)	O56—Na34—O134^xi	85.7 (4)
O31^iii—Sr4—O125^iii	83.2 (4)	O100^xi—Na34—O126	95.8 (4)
O31^iii—Sr4—O139^iii	80.1 (3)	O100^xi—Na34—O134^xi	86.0 (4)
O31^iii—Sr4—O169	116.8 (3)	O126—Na34—O134^xi	76.4 (4)
O31^iii—Sr4—O184	117.0 (3)	O10—Ca35—O41^i	101.1 (4)
O105—Sr4—O123^iii	69.4 (4)	O10—Ca35—O101	72.9 (4)
O105—Sr4—O125^iii	146.1 (3)	O10—Ca35—O107^i	173.4 (6)
O105—Sr4—O139^iii	147.9 (3)	O10—Ca35—O185	91.4 (5)
O105—Sr4—O169	72.1 (3)	O10—Ca35—O194	81.9 (4)
O105—Sr4—O184	70.2 (4)	O41^i—Ca35—O101	172.9 (5)
O123^iii—Sr4—O125^iii	123.8 (4)	O41^i—Ca35—O107^i	72.6 (4)
O123^iii—Sr4—O139^iii	78.6 (3)	O41^i—Ca35—O185	88.9 (5)
O123^iii—Sr4—O169	62.5 (3)	O41^i—Ca35—O194	81.4 (5)
O123^iii—Sr4—O184	139.5 (4)	O101—Ca35—O107^i	113.2 (4)
O125^iii—Sr4—O139^iii	57.2 (3)	O101—Ca35—O185	87.4 (5)
O125^iii—Sr4—O169	141.4 (3)	O101—Ca35—O194	101.2 (5)
O125^iii—Sr4—O184	89.6 (4)	O107^i—Ca35—O185	86.4 (4)
O139^iii—Sr4—O169	92.2 (3)	O107^i—Ca35—O194	98.9 (5)
O139^iii—Sr4—O184	141.9 (4)	O185—Ca35—O194	166.9 (5)
O169—Sr4—O184	107.1 (4)	O10—Na35—O41^i	101.1 (4)
O9—K1—O15^iv	98.3 (4)	O10—Na35—O101	72.9 (4)
O9—K1—O34	117.5 (4)	O10—Na35—O107^i	173.4 (6)
O9—K1—O63^v	99.4 (3)	O10—Na35—O185	91.4 (5)
O9—K1—O66^v	118.7 (3)	O10—Na35—O194	81.9 (4)
O9—K1—O109	98.2 (4)	O41^i—Na35—O101	172.9 (5)
O9—K1—O168^i	98.8 (4)	O41^i—Na35—O107^i	72.6 (4)
O9—K1—O173^v	48.9 (3)	O41^i—Na35—O185	88.9 (5)
O15^iv—K1—O34	119.2 (3)	O41^i—Na35—O194	81.4 (5)
O15^iv—K1—O63^v	104.0 (4)	O101—Na35—O107^i	113.2 (4)
O15^iv—K1—O66^v	52.7 (3)	O101—Na35—O185	87.4 (5)
O15^iv—K1—O109	75.6 (3)	O101—Na35—O194	101.2 (5)
O15^iv—K1—O168^i	162.9 (4)	O107^i—Na35—O185	86.4 (4)
O15^iv—K1—O173^v	69.4 (3)	O107^i—Na35—O194	98.9 (5)
O34—K1—O63^v	115.2 (4)	O185—Na35—O194	166.9 (5)
O34—K1—O66^v	123.8 (4)	O58—Ca36—O64	88.2 (4)
O34—K1—O109	53.3 (3)	O58—Ca36—O84	93.7 (4)
O34—K1—O168^i	50.6 (3)	O58—Ca36—O100	91.9 (4)
O34—K1—O173^v	166.3 (4)	O58—Ca36—O134	98.2 (4)
O63^v—K1—O66^v	54.1 (3)	O58—Ca36—O192^xiii	169.7 (5)
O63^v—K1—O109	162.3 (4)	O64—Ca36—O84	84.4 (4)
O63^v—K1—O168^i	73.9 (3)	O64—Ca36—O100	176.6 (4)
O63^v—K1—O173^v	69.8 (3)	O64—Ca36—O134	96.0 (4)
O66^v—K1—O109	118.0 (4)	O64—Ca36—O192^xiii	81.5 (4)
O66^v—K1—O168^i	118.2 (4)	O84—Ca36—O100	99.0 (4)
O66^v—K1—O173^v	69.8 (3)	O84—Ca36—O134	168.1 (5)
O109—K1—O168^i	101.1 (3)	O84—Ca36—O192^xiii	86.3 (4)
O109—K1—O173^v	124.8 (4)	O100—Ca36—O134	80.7 (4)
O168^i—K1—O173^v	123.7 (3)	O100—Ca36—O192^xiii	98.3 (5)
O7—K2—O25^iv	96.0 (4)	O134—Ca36—O192^xiii	82.0 (4)
O7—K2—O49^iv	98.7 (3)	O58—Na36—O64	88.2 (4)
O7—K2—O75	97.2 (4)	O58—Na36—O84	93.7 (4)
O7—K2—O91^iv	115.9 (3)	O58—Na36—O100	91.9 (4)
O7—K2—O115	118.6 (4)	O58—Na36—O134	98.2 (4)
O7—K2—O195	100.8 (4)	O58—Na36—O192^xiii	169.7 (5)
O25^iv—K2—O49^iv	101.2 (4)	O64—Na36—O84	84.4 (4)
O25^iv—K2—O75	74.5 (3)	O64—Na36—O100	176.6 (4)
O25^iv—K2—O91^iv	51.4 (3)	O64—Na36—O134	96.0 (4)
O25^iv—K2—O115	118.5 (3)	O64—Na36—O192^xiii	81.5 (4)
O25^iv—K2—O195	163.2 (5)	O84—Na36—O100	99.0 (4)
O49^iv—K2—O75	163.9 (5)	O84—Na36—O134	168.1 (5)
O49^iv—K2—O91^iv	52.7 (3)	O84—Na36—O192^xiii	86.3 (4)
O49^iv—K2—O115	119.3 (4)	O100—Na36—O134	80.7 (4)
O49^iv—K2—O195	75.4 (3)	O100—Na36—O192^xiii	98.3 (5)
O75—K2—O91^iv	117.1 (4)	O134—Na36—O192^xiii	82.0 (4)
O75—K2—O115	53.5 (3)	O92—Ca37—O126^i	85.5 (5)
O75—K2—O195	104.1 (3)	O92—Ca37—O134	160.2 (5)
O91^iv—K2—O115	125.4 (4)	O92—Ca37—O179^i	85.0 (4)
O91^iv—K2—O195	118.6 (4)	O92—Ca37—F4	86.5 (5)
O115—K2—O195	53.2 (3)	O92—Ca37—O192^xiii	85.4 (4)
O12^vi—K3—O22^vi	98.6 (3)	O126^i—Ca37—O134	77.0 (4)
O12^vi—K3—O33^vii	51.3 (3)	O126^i—Ca37—O179^i	82.0 (4)
O12^vi—K3—O36^vii	102.9 (4)	O126^i—Ca37—F4	168.9 (5)
O12^vi—K3—O94^viii	159.4 (5)	O126^i—Ca37—O192^xiii	94.1 (4)
O12^vi—K3—O131^vi	72.6 (3)	O134—Ca37—O179^i	101.4 (4)
O12^vi—K3—O199	115.4 (4)	O134—Ca37—F4	109.4 (5)
O22^vi—K3—O33^vii	116.5 (4)	O134—Ca37—O192^xiii	86.7 (4)
O22^vi—K3—O36^vii	98.5 (4)	O179^i—Ca37—F4	105.1 (4)
O22^vi—K3—O94^viii	101.9 (4)	O179^i—Ca37—O192^xiii	169.8 (5)
O22^vi—K3—O131^vi	100.1 (4)	F4—Ca37—O192^xiii	77.6 (3)
O22^vi—K3—O199	120.6 (4)	O92—Na37—O126^i	85.5 (5)
O33^vii—K3—O36^vii	53.9 (3)	O92—Na37—O134	160.2 (5)
O33^vii—K3—O94^viii	116.4 (4)	O92—Na37—O179^i	85.0 (4)
O33^vii—K3—O131^vi	114.9 (4)	O92—Na37—F4	86.5 (5)
O33^vii—K3—O199	122.8 (4)	O92—Na37—O192^xiii	85.4 (4)
O36^vii—K3—O94^viii	72.8 (3)	O126^i—Na37—O134	77.0 (4)
O36^vii—K3—O131^vi	161.4 (5)	O126^i—Na37—O179^i	82.0 (4)
O36^vii—K3—O199	117.4 (3)	O126^i—Na37—F4	168.9 (5)
O94^viii—K3—O131^vi	104.8 (3)	O126^i—Na37—O192^xiii	94.1 (4)
O94^viii—K3—O199	53.9 (3)	O134—Na37—O179^i	101.4 (4)
O131^vi—K3—O199	53.0 (3)	O134—Na37—F4	109.4 (5)
O8^ix—K4—O16	97.6 (3)	O134—Na37—O192^xiii	86.7 (4)
O8^ix—K4—O21	105.3 (4)	O179^i—Na37—F4	105.1 (4)
O8^ix—K4—O65	162.8 (5)	O179^i—Na37—O192^xiii	169.8 (5)
O8^ix—K4—O86^x	53.3 (3)	F4—Na37—O192^xiii	77.6 (3)
O8^ix—K4—O96	71.9 (3)	O90—Ca38—O105	85.8 (5)
O8^ix—K4—O191	116.5 (4)	O90—Ca38—O137	77.4 (4)
O16—K4—O21	99.8 (4)	O90—Ca38—O188	83.9 (4)
O16—K4—O65	99.5 (4)	O90—Ca38—F5	170.3 (5)
O16—K4—O86^x	118.0 (4)	O90—Ca38—O196	94.5 (4)
O16—K4—O96	96.2 (4)	O105—Ca38—O137	160.2 (5)
O16—K4—O191	115.3 (4)	O105—Ca38—O188	85.9 (4)
O21—K4—O65	72.9 (3)	O105—Ca38—F5	86.4 (5)
O21—K4—O86^x	54.4 (3)	O105—Ca38—O196	88.1 (4)
O21—K4—O96	163.9 (5)	O137—Ca38—O188	102.4 (4)
O21—K4—O191	119.0 (3)	O137—Ca38—F5	109.2 (4)
O65—K4—O86^x	118.0 (4)	O137—Ca38—O196	82.9 (4)
O65—K4—O96	104.9 (3)	O188—Ca38—F5	101.2 (4)
O65—K4—O191	54.1 (3)	O188—Ca38—O196	173.9 (5)
O86^x—K4—O96	116.7 (4)	F5—Ca38—O196	79.6 (3)
O86^x—K4—O191	126.6 (4)	O90—Na38—O105	85.8 (5)
O96—K4—O191	52.8 (3)	O90—Na38—O137	77.4 (4)
O3^iv—K5—O28	109.6 (4)	O90—Na38—O188	83.9 (4)
O3^iv—K5—O40	156.9 (4)	O90—Na38—F5	170.3 (5)
O3^iv—K5—O84^iv	72.2 (3)	O90—Na38—O196	94.5 (4)
O3^iv—K5—O85^iv	104.7 (3)	O105—Na38—O137	160.2 (5)
O3^iv—K5—O91^iv	54.2 (3)	O105—Na38—O188	85.9 (4)
O3^iv—K5—O116^iv	125.4 (4)	O105—Na38—F5	86.4 (5)
O3^iv—K5—O120	69.1 (3)	O105—Na38—O196	88.1 (4)
O3^iv—K5—O128^iv	105.3 (4)	O137—Na38—O188	102.4 (4)
O28—K5—O40	53.7 (3)	O137—Na38—F5	109.2 (4)
O28—K5—O84^iv	178.0 (4)	O137—Na38—O196	82.9 (4)
O28—K5—O85^iv	124.3 (5)	O188—Na38—F5	101.2 (4)
O28—K5—O91^iv	109.3 (4)	O188—Na38—O196	173.9 (5)
O28—K5—O116^iv	72.6 (3)	F5—Na38—O196	79.6 (3)
O28—K5—O120	56.0 (3)	O4^iii—Ca39—O56	162.3 (4)
O28—K5—O128^iv	107.5 (3)	O4^iii—Ca39—O126	83.7 (4)
O40—K5—O84^iv	124.8 (4)	O4^iii—Ca39—O179	82.3 (5)
O40—K5—O85^iv	98.3 (4)	O4^iii—Ca39—F5	85.0 (4)
O40—K5—O91^iv	112.3 (4)	O4^iii—Ca39—O196	87.8 (5)
O40—K5—O116^iv	68.8 (3)	O56—Ca39—O126	81.4 (4)
O40—K5—O120	105.1 (3)	O56—Ca39—O179	104.0 (5)
O40—K5—O128^iv	70.3 (3)	O56—Ca39—F5	109.4 (4)
O84^iv—K5—O85^iv	54.0 (3)	O56—Ca39—O196	83.9 (4)
O84^iv—K5—O91^iv	72.3 (3)	O126—Ca39—O179	78.2 (4)
O84^iv—K5—O116^iv	105.7 (4)	O126—Ca39—F5	168.7 (5)
O84^iv—K5—O120	124.7 (3)	O126—Ca39—O196	95.2 (4)
O84^iv—K5—O128^iv	72.5 (3)	O179—Ca39—F5	101.6 (4)
O85^iv—K5—O91^iv	126.3 (4)	O179—Ca39—O196	168.7 (5)
O85^iv—K5—O116^iv	51.7 (3)	F5—Ca39—O196	83.1 (4)
O85^iv—K5—O120	100.5 (4)	O4^iii—Na39—O56	162.3 (4)
O85^iv—K5—O128^iv	103.9 (4)	O4^iii—Na39—O126	83.7 (4)
O91^iv—K5—O116^iv	178.0 (3)	O4^iii—Na39—O179	82.3 (5)
O91^iv—K5—O120	111.7 (4)	O4^iii—Na39—F5	85.0 (4)
O91^iv—K5—O128^iv	53.1 (3)	O4^iii—Na39—O196	87.8 (5)
O116^iv—K5—O120	69.2 (4)	O56—Na39—O126	81.4 (4)
O116^iv—K5—O128^iv	126.6 (4)	O56—Na39—O179	104.0 (5)
O120—K5—O128^iv	155.6 (5)	O56—Na39—F5	109.4 (4)
O34—K6—O69	115.5 (3)	O56—Na39—O196	83.9 (4)
O34—K6—O141	95.0 (4)	O126—Na39—O179	78.2 (4)
O34—K6—O156	46.1 (3)	O126—Na39—F5	168.7 (5)
O34—K6—O158	112.6 (4)	O126—Na39—O196	95.2 (4)
O34—K6—O162	47.8 (3)	O179—Na39—F5	101.6 (4)
O34—K6—F4	174.0 (4)	O179—Na39—O196	168.7 (5)
O34—K6—O198	96.9 (4)	F5—Na39—O196	83.1 (4)
O69—K6—O141	149.3 (4)	O5^iii—Ca40—O64	164.2 (4)
O69—K6—O156	148.3 (3)	O5^iii—Ca40—O90	85.8 (4)
O69—K6—O158	116.9 (4)	O5^iii—Ca40—O188	85.3 (5)
O69—K6—O162	89.2 (3)	O5^iii—Ca40—F4	84.5 (4)
O69—K6—F4	65.8 (3)	O5^iii—Ca40—O192^xiii	83.8 (5)
O69—K6—O198	88.1 (3)	O64—Ca40—O90	84.5 (4)
O141—K6—O156	54.8 (3)	O64—Ca40—O188	104.9 (5)
O141—K6—O158	48.1 (3)	O64—Ca40—F4	104.5 (4)
O141—K6—O162	116.0 (4)	O64—Ca40—O192^xiii	84.5 (4)
O141—K6—F4	83.5 (3)	O90—Ca40—O188	78.2 (4)
O141—K6—O198	92.4 (3)	O90—Ca40—F4	170.2 (5)
O156—K6—O158	94.8 (3)	O90—Ca40—O192^xiii	95.1 (4)
O156—K6—O162	89.4 (4)	O188—Ca40—F4	102.7 (4)
O156—K6—F4	129.7 (3)	O188—Ca40—O192^xiii	167.7 (5)
O156—K6—O198	116.6 (4)	F4—Ca40—O192^xiii	82.2 (4)
O158—K6—O162	94.4 (4)	O5^iii—Na40—O64	164.2 (4)
O158—K6—F4	70.6 (3)	O5^iii—Na40—O90	85.8 (4)
O158—K6—O198	47.5 (3)	O5^iii—Na40—O188	85.3 (5)
O162—K6—F4	137.9 (4)	O5^iii—Na40—F4	84.5 (4)
O162—K6—O198	55.3 (3)	O5^iii—Na40—O192^xiii	83.8 (5)
F4—K6—O198	89.0 (4)	O64—Na40—O90	84.5 (4)
O6^v—K7—O39	109.2 (4)	O64—Na40—O188	104.9 (5)
O6^v—K7—O43^v	72.8 (3)	O64—Na40—F4	104.5 (4)
O6^v—K7—O54^v	105.0 (3)	O64—Na40—O192^xiii	84.5 (4)
O6^v—K7—O62	68.1 (3)	O90—Na40—O188	78.2 (4)
O6^v—K7—O66^v	54.8 (3)	O90—Na40—F4	170.2 (5)
O6^v—K7—O99	155.8 (4)	O90—Na40—O192^xiii	95.1 (4)
O6^v—K7—O111^iv	106.6 (4)	O188—Na40—F4	102.7 (4)
O39—K7—O43^v	175.3 (5)	O188—Na40—O192^xiii	167.7 (5)
O39—K7—O54^v	123.1 (4)	F4—Na40—O192^xiii	82.2 (4)
O39—K7—O62	55.8 (3)	O5—Ti1—O24	89.7 (5)
O39—K7—O66^v	109.5 (4)	O5—Ti1—O132	88.3 (5)
O39—K7—O99	53.0 (3)	O5—Ti1—O152	171.0 (4)
O39—K7—O111^iv	108.8 (3)	O5—Ti1—O174^iv	89.7 (6)
O43^v—K7—O54^v	52.2 (3)	O5—Ti1—O184^vii	93.7 (5)
O43^v—K7—O62	122.6 (3)	O24—Ti1—O132	91.0 (4)
O43^v—K7—O66^v	75.2 (3)	O24—Ti1—O152	85.9 (5)
O43^v—K7—O99	126.3 (4)	O24—Ti1—O174^iv	175.3 (4)
O43^v—K7—O111^iv	74.2 (3)	O24—Ti1—O184^vii	84.3 (4)
O54^v—K7—O62	100.3 (4)	O132—Ti1—O152	83.9 (5)
O54^v—K7—O66^v	127.4 (4)	O132—Ti1—O174^iv	93.5 (4)
O54^v—K7—O99	99.1 (4)	O132—Ti1—O184^vii	174.9 (6)
O54^v—K7—O111^iv	102.9 (4)	O152—Ti1—O174^iv	95.3 (5)
O62—K7—O66^v	111.1 (4)	O152—Ti1—O184^vii	93.7 (5)
O62—K7—O99	105.0 (3)	O174^iv—Ti1—O184^vii	91.1 (4)
O62—K7—O111^iv	156.7 (5)	O5—Mn1—O24	89.7 (5)
O66^v—K7—O99	111.5 (4)	O5—Mn1—O132	88.3 (5)
O66^v—K7—O111^iv	54.1 (3)	O5—Mn1—O152	171.0 (4)
O99—K7—O111^iv	70.2 (3)	O5—Mn1—O174^iv	89.7 (6)
O11—K8—O17^v	123.5 (4)	O5—Mn1—O184^vii	93.7 (5)
O11—K8—O38^iv	126.2 (3)	O24—Mn1—O132	91.0 (4)
O11—K8—O44	73.6 (3)	O24—Mn1—O152	85.9 (5)
O11—K8—O87^iv	104.0 (4)	O24—Mn1—O174^iv	175.3 (4)
O11—K8—O106^iv	172.8 (4)	O24—Mn1—O184^vii	84.3 (4)
O11—K8—O112	74.6 (3)	O132—Mn1—O152	83.9 (5)
O11—K8—O124	73.8 (3)	O132—Mn1—O174^iv	93.5 (4)
O11—K8—O150	51.6 (3)	O132—Mn1—O184^vii	174.9 (6)
O17^v—K8—O38^iv	105.2 (3)	O152—Mn1—O174^iv	95.3 (5)
O17^v—K8—O44	68.9 (3)	O152—Mn1—O184^vii	93.7 (5)
O17^v—K8—O87^iv	67.5 (3)	O174^iv—Mn1—O184^vii	91.1 (4)
O17^v—K8—O106^iv	53.3 (3)	O5—Fe1—O24	89.7 (5)
O17^v—K8—O112	111.0 (4)	O5—Fe1—O132	88.3 (5)
O17^v—K8—O124	155.8 (5)	O5—Fe1—O152	171.0 (4)
O17^v—K8—O150	99.1 (4)	O5—Fe1—O174^iv	89.7 (6)
O38^iv—K8—O44	153.0 (5)	O5—Fe1—O184^vii	93.7 (5)
O38^iv—K8—O87^iv	72.9 (4)	O24—Fe1—O132	91.0 (4)
O38^iv—K8—O106^iv	54.0 (3)	O24—Fe1—O152	85.9 (5)
O38^iv—K8—O112	110.0 (4)	O24—Fe1—O174^iv	175.3 (4)
O38^iv—K8—O124	69.1 (3)	O24—Fe1—O184^vii	84.3 (4)
O38^iv—K8—O150	103.2 (4)	O132—Fe1—O152	83.9 (5)
O44—K8—O87^iv	124.1 (4)	O132—Fe1—O174^iv	93.5 (4)
O44—K8—O106^iv	109.0 (3)	O132—Fe1—O184^vii	174.9 (6)
O44—K8—O112	53.1 (3)	O152—Fe1—O174^iv	95.3 (5)
O44—K8—O124	105.0 (4)	O152—Fe1—O184^vii	93.7 (5)
O44—K8—O150	103.8 (4)	O174^iv—Fe1—O184^vii	91.1 (4)
O87^iv—K8—O106^iv	68.9 (3)	O5—Nb1—O24	89.7 (5)
O87^iv—K8—O112	177.1 (4)	O5—Nb1—O132	88.3 (5)
O87^iv—K8—O124	128.6 (4)	O5—Nb1—O152	171.0 (4)
O87^iv—K8—O150	52.4 (3)	O5—Nb1—O174^iv	89.7 (6)
O106^iv—K8—O112	112.4 (4)	O5—Nb1—O184^vii	93.7 (5)
O106^iv—K8—O124	111.4 (4)	O24—Nb1—O132	91.0 (4)
O106^iv—K8—O150	121.3 (4)	O24—Nb1—O152	85.9 (5)
O112—K8—O124	53.7 (3)	O24—Nb1—O174^iv	175.3 (4)
O112—K8—O150	126.2 (4)	O24—Nb1—O184^vii	84.3 (4)
O124—K8—O150	105.1 (3)	O132—Nb1—O152	83.9 (5)
O13^ix—K9—O27	124.7 (4)	O132—Nb1—O174^iv	93.5 (4)
O13^ix—K9—O78	124.7 (3)	O132—Nb1—O184^vii	174.9 (6)
O13^ix—K9—O102^ii	72.4 (3)	O152—Nb1—O174^iv	95.3 (5)
O13^ix—K9—O121	170.0 (5)	O152—Nb1—O184^vii	93.7 (5)
O13^ix—K9—O149^ii	52.3 (3)	O174^iv—Nb1—O184^vii	91.1 (4)
O13^ix—K9—O159^ix	72.7 (3)	O2—Ti2—O113	177.8 (6)
O13^ix—K9—O176	104.1 (4)	O2—Ti2—O122	89.1 (4)
O13^ix—K9—O193^ii	74.5 (3)	O2—Ti2—O155	91.4 (5)
O27—K9—O78	105.6 (3)	O2—Ti2—O166	89.9 (5)
O27—K9—O102^ii	69.7 (3)	O2—Ti2—O171^xi	89.7 (4)
O27—K9—O121	52.4 (3)	O113—Ti2—O122	89.7 (4)
O27—K9—O149^ii	102.2 (4)	O113—Ti2—O155	86.7 (5)
O27—K9—O159^ix	155.8 (5)	O113—Ti2—O166	92.1 (5)
O27—K9—O176	69.0 (3)	O113—Ti2—O171^xi	91.3 (4)
O27—K9—O193^ii	110.7 (4)	O122—Ti2—O155	84.0 (5)
O78—K9—O102^ii	155.5 (5)	O122—Ti2—O166	96.0 (5)
O78—K9—O121	54.5 (3)	O122—Ti2—O171^xi	173.4 (6)
O78—K9—O149^ii	99.3 (4)	O155—Ti2—O166	178.8 (4)
O78—K9—O159^ix	68.9 (3)	O155—Ti2—O171^xi	89.6 (5)
O78—K9—O176	71.6 (4)	O166—Ti2—O171^xi	90.5 (5)
O78—K9—O193^ii	110.2 (4)	O2—Mn2—O113	177.8 (6)
O102^ii—K9—O121	112.1 (3)	O2—Mn2—O122	89.1 (4)
O102^ii—K9—O149^ii	105.2 (4)	O2—Mn2—O155	91.4 (5)
O102^ii—K9—O159^ix	105.1 (4)	O2—Mn2—O166	89.9 (5)
O102^ii—K9—O176	124.8 (4)	O2—Mn2—O171^xi	89.7 (4)
O102^ii—K9—O193^ii	53.7 (3)	O113—Mn2—O122	89.7 (4)
O121—K9—O149^ii	117.8 (4)	O113—Mn2—O155	86.7 (5)
O121—K9—O159^ix	113.4 (4)	O113—Mn2—O166	92.1 (5)
O121—K9—O176	65.9 (3)	O113—Mn2—O171^xi	91.3 (4)
O121—K9—O193^ii	115.5 (4)	O122—Mn2—O155	84.0 (5)
O149^ii—K9—O159^ix	102.0 (3)	O122—Mn2—O166	96.0 (5)
O149^ii—K9—O176	51.9 (3)	O122—Mn2—O171^xi	173.4 (6)
O149^ii—K9—O193^ii	126.7 (4)	O155—Mn2—O166	178.8 (4)
O159^ix—K9—O176	127.0 (4)	O155—Mn2—O171^xi	89.6 (5)
O159^ix—K9—O193^ii	54.0 (3)	O166—Mn2—O171^xi	90.5 (5)
O176—K9—O193^ii	178.1 (4)	O2—Fe2—O113	177.8 (6)
O70—K10—O80	116.8 (4)	O2—Fe2—O122	89.1 (4)
O70—K10—O115	114.9 (4)	O2—Fe2—O155	91.4 (5)
O70—K10—O130	96.1 (4)	O2—Fe2—O166	89.9 (5)
O70—K10—O165	96.0 (3)	O2—Fe2—O171^xi	89.7 (4)
O70—K10—O172	47.1 (3)	O113—Fe2—O122	89.7 (4)
O70—K10—O187	47.3 (3)	O113—Fe2—O155	86.7 (5)
O70—K10—F5	71.5 (3)	O113—Fe2—O166	92.1 (5)
O80—K10—O115	114.0 (3)	O113—Fe2—O171^xi	91.3 (4)
O80—K10—O130	88.5 (3)	O122—Fe2—O155	84.0 (5)
O80—K10—O165	147.1 (3)	O122—Fe2—O166	96.0 (5)
O80—K10—O172	148.8 (4)	O122—Fe2—O171^xi	173.4 (6)
O80—K10—O187	88.7 (3)	O155—Fe2—O166	178.8 (4)
O80—K10—F5	63.9 (3)	O155—Fe2—O171^xi	89.6 (5)
O115—K10—O130	47.9 (3)	O166—Fe2—O171^xi	90.5 (5)
O115—K10—O165	46.6 (3)	O2—Nb2—O113	177.8 (6)
O115—K10—O172	96.9 (4)	O2—Nb2—O122	89.1 (4)
O115—K10—O187	98.2 (4)	O2—Nb2—O155	91.4 (5)
O115—K10—F5	172.6 (4)	O2—Nb2—O166	89.9 (5)
O130—K10—O165	90.0 (4)	O2—Nb2—O171^xi	89.7 (4)
O130—K10—O172	117.0 (4)	O113—Nb2—O122	89.7 (4)
O130—K10—O187	56.5 (3)	O113—Nb2—O155	86.7 (5)
O130—K10—F5	137.2 (4)	O113—Nb2—O166	92.1 (5)
O165—K10—O172	56.3 (3)	O113—Nb2—O171^xi	91.3 (4)
O165—K10—O187	117.4 (4)	O122—Nb2—O155	84.0 (5)
O165—K10—F5	131.1 (3)	O122—Nb2—O166	96.0 (5)
O172—K10—O187	91.1 (3)	O122—Nb2—O171^xi	173.4 (6)
O172—K10—F5	84.8 (3)	O155—Nb2—O166	178.8 (4)
O187—K10—F5	88.9 (4)	O155—Nb2—O171^xi	89.6 (5)
O18^ix—K11—O57^ii	109.0 (5)	O166—Nb2—O171^xi	90.5 (5)
O18^ix—K11—O72^ix	58.2 (4)	O29—Ti3—O32	93.5 (5)
O18^ix—K11—O140^ix	62.1 (4)	O29—Ti3—O48	172.7 (6)
O18^ix—K11—O142^ii	155.2 (4)	O29—Ti3—O55	86.3 (5)
O18^ix—K11—F3^ii	73.3 (3)	O29—Ti3—O79	88.4 (5)
O18^ix—K11—O193^ii	113.1 (4)	O29—Ti3—O138	97.4 (5)
O57^ii—K11—O72^ix	56.4 (4)	O32—Ti3—O48	93.5 (6)
O57^ii—K11—O140^ix	149.7 (4)	O32—Ti3—O55	91.7 (5)
O57^ii—K11—O142^ii	68.8 (4)	O32—Ti3—O79	175.7 (5)
O57^ii—K11—F3^ii	74.4 (4)	O32—Ti3—O138	93.9 (5)
O57^ii—K11—O193^ii	116.7 (4)	O48—Ti3—O55	91.3 (5)
O72^ix—K11—O140^ix	120.0 (4)	O48—Ti3—O79	84.5 (5)
O72^ix—K11—O142^ii	125.2 (4)	O48—Ti3—O138	84.3 (5)
O72^ix—K11—F3^ii	83.0 (4)	O55—Ti3—O79	84.6 (5)
O72^ix—K11—O193^ii	158.1 (3)	O55—Ti3—O138	173.1 (5)
O140^ix—K11—O142^ii	106.6 (5)	O79—Ti3—O138	89.7 (4)
O140^ix—K11—F3^ii	75.3 (3)	O29—Mn3—O32	93.5 (5)
O140^ix—K11—O193^ii	53.5 (4)	O29—Mn3—O48	172.7 (6)
O142^ii—K11—F3^ii	82.6 (4)	O29—Mn3—O55	86.3 (5)
O142^ii—K11—O193^ii	53.4 (4)	O29—Mn3—O79	88.4 (5)
F3^ii—K11—O193^ii	75.1 (4)	O29—Mn3—O138	97.4 (5)
O37^ix—K12—O72^ix	59.1 (3)	O32—Mn3—O48	93.5 (6)
O37^ix—K12—O92^vi	77.5 (4)	O32—Mn3—O55	91.7 (5)
O37^ix—K12—O132^ii	109.6 (3)	O32—Mn3—O79	175.7 (5)
O37^ix—K12—O174	158.2 (5)	O32—Mn3—O138	93.9 (5)
O37^ix—K12—O175^viii	65.2 (3)	O48—Mn3—O55	91.3 (5)
O37^ix—K12—O199	118.6 (4)	O48—Mn3—O79	84.5 (5)
O72^ix—K12—O92^vi	92.6 (4)	O48—Mn3—O138	84.3 (5)
O72^ix—K12—O132^ii	56.7 (3)	O55—Mn3—O79	84.6 (5)
O72^ix—K12—O174	120.1 (4)	O55—Mn3—O138	173.1 (5)
O72^ix—K12—O175^viii	123.9 (3)	O79—Mn3—O138	89.7 (4)
O72^ix—K12—O199	167.9 (5)	O29—Fe3—O32	93.5 (5)
O92^vi—K12—O132^ii	79.5 (4)	O29—Fe3—O48	172.7 (6)
O92^vi—K12—O174	80.8 (4)	O29—Fe3—O55	86.3 (5)
O92^vi—K12—O175^viii	81.7 (4)	O29—Fe3—O79	88.4 (5)
O92^vi—K12—O199	75.4 (4)	O29—Fe3—O138	97.4 (5)
O132^ii—K12—O174	63.6 (3)	O32—Fe3—O48	93.5 (6)
O132^ii—K12—O175^viii	161.2 (5)	O32—Fe3—O55	91.7 (5)
O132^ii—K12—O199	117.9 (4)	O32—Fe3—O79	175.7 (5)
O174—K12—O175^viii	113.9 (4)	O32—Fe3—O138	93.9 (5)
O174—K12—O199	56.8 (3)	O48—Fe3—O55	91.3 (5)
O175^viii—K12—O199	57.1 (3)	O48—Fe3—O79	84.5 (5)
O29—K13—O32	61.3 (4)	O48—Fe3—O138	84.3 (5)
O29—K13—O33^vii	117.1 (4)	O55—Fe3—O79	84.6 (5)
O29—K13—O47	163.4 (4)	O55—Fe3—O138	173.1 (5)
O29—K13—O60	108.9 (5)	O79—Fe3—O138	89.7 (4)
O29—K13—F1	73.0 (3)	O29—Nb3—O32	93.5 (5)
O29—K13—O129	58.7 (4)	O29—Nb3—O48	172.7 (6)
O32—K13—O33^vii	58.3 (4)	O29—Nb3—O55	86.3 (5)
O32—K13—O47	116.9 (5)	O29—Nb3—O79	88.4 (5)
O32—K13—O60	158.8 (4)	O29—Nb3—O138	97.4 (5)
O32—K13—F1	81.8 (4)	O32—Nb3—O48	93.5 (6)
O32—K13—O129	119.8 (4)	O32—Nb3—O55	91.7 (5)
O33^vii—K13—O47	58.6 (4)	O32—Nb3—O79	175.7 (5)
O33^vii—K13—O60	120.8 (4)	O32—Nb3—O138	93.9 (5)
O33^vii—K13—F1	82.4 (4)	O48—Nb3—O55	91.3 (5)
O33^vii—K13—O129	168.8 (4)	O48—Nb3—O79	84.5 (5)
O47—K13—O60	66.5 (4)	O48—Nb3—O138	84.3 (5)
O47—K13—F1	90.3 (4)	O55—Nb3—O79	84.6 (5)
O47—K13—O129	122.0 (4)	O55—Nb3—O138	173.1 (5)
O60—K13—F1	77.3 (4)	O79—Nb3—O138	89.7 (4)
O60—K13—O129	56.3 (4)	O46—Ti9—O130	92.6 (6)
F1—K13—O129	86.4 (4)	O46—Ti9—O141	94.6 (5)
O2—K14—O121	100.8 (4)	O46—Ti9—O144	173.8 (4)
O2—K14—O122	60.3 (3)	O46—Ti9—O156	90.7 (5)
O2—K14—O129	55.9 (3)	O46—Ti9—O187	94.9 (5)
O2—K14—O146	65.5 (4)	O130—Ti9—O141	171.8 (5)
O2—K14—O153	103.2 (4)	O130—Ti9—O144	89.2 (5)
O2—K14—O181	137.2 (5)	O130—Ti9—O156	88.2 (4)
O121—K14—O122	50.6 (3)	O130—Ti9—O187	89.4 (4)
O121—K14—O129	140.0 (5)	O141—Ti9—O144	83.2 (5)
O121—K14—O146	61.2 (3)	O141—Ti9—O156	87.8 (4)
O121—K14—O153	105.6 (4)	O141—Ti9—O187	93.8 (4)
O121—K14—O181	53.4 (3)	O144—Ti9—O156	83.4 (4)
O122—K14—O129	116.1 (4)	O144—Ti9—O187	91.1 (5)
O122—K14—O146	72.2 (3)	O156—Ti9—O187	174.0 (5)
O122—K14—O153	140.1 (5)	O46—Nb9—O130	92.6 (6)
O122—K14—O181	104.1 (4)	O46—Nb9—O141	94.6 (5)
O129—K14—O146	79.0 (4)	O46—Nb9—O144	173.8 (4)
O129—K14—O153	58.1 (3)	O46—Nb9—O156	90.7 (5)
O129—K14—O181	119.2 (3)	O46—Nb9—O187	94.9 (5)
O146—K14—O153	67.9 (4)	O130—Nb9—O141	171.8 (5)
O146—K14—O181	71.8 (4)	O130—Nb9—O144	89.2 (5)
O153—K14—O181	61.7 (3)	O130—Nb9—O156	88.2 (4)
O19—Na1—O29	125.2 (4)	O130—Nb9—O187	89.4 (4)
O19—Na1—O55	167.4 (4)	O141—Nb9—O144	83.2 (5)
O19—Na1—F1	77.9 (4)	O141—Nb9—O156	87.8 (4)
O19—Na1—O97	99.3 (4)	O141—Nb9—O187	93.8 (4)
O19—Na1—O148	80.1 (4)	O144—Nb9—O156	83.4 (4)
O19—Na1—O151	91.4 (4)	O144—Nb9—O187	91.1 (5)
O29—Na1—O55	66.4 (4)	O156—Nb9—O187	174.0 (5)
O29—Na1—F1	80.2 (4)	O88—Ti10—O107	175.4 (4)
O29—Na1—O97	108.5 (4)	O88—Ti10—O162^xi	86.1 (5)
O29—Na1—O148	60.8 (4)	O88—Ti10—O165	84.9 (4)
O29—Na1—O151	133.1 (5)	O88—Ti10—O172	86.3 (5)
O55—Na1—F1	100.8 (5)	O88—Ti10—O198^xi	89.2 (5)
O55—Na1—O97	79.9 (4)	O107—Ti10—O162^xi	95.8 (6)
O55—Na1—O148	111.9 (4)	O107—Ti10—O165	90.9 (5)
O55—Na1—O151	76.1 (4)	O107—Ti10—O172	91.5 (5)
F1—Na1—O97	170.5 (4)	O107—Ti10—O198^xi	95.0 (5)
F1—Na1—O148	108.9 (4)	O162^xi—Ti10—O165	88.6 (4)
F1—Na1—O151	80.4 (4)	O162^xi—Ti10—O172	170.8 (4)
O97—Na1—O148	79.3 (4)	O162^xi—Ti10—O198^xi	91.5 (4)
O97—Na1—O151	90.6 (4)	O165—Ti10—O172	85.7 (4)
O148—Na1—O151	165.5 (4)	O165—Ti10—O198^xi	174.1 (6)
O19—Ca1—O29	125.2 (4)	O172—Ti10—O198^xi	93.4 (4)
O19—Ca1—O55	167.4 (4)	O88—Nb10—O107	175.4 (4)
O19—Ca1—F1	77.9 (4)	O88—Nb10—O162^xi	86.1 (5)
O19—Ca1—O97	99.3 (4)	O88—Nb10—O165	84.9 (4)
O19—Ca1—O148	80.1 (4)	O88—Nb10—O172	86.3 (5)
O19—Ca1—O151	91.4 (4)	O88—Nb10—O198^xi	89.2 (5)
O29—Ca1—O55	66.4 (4)	O107—Nb10—O162^xi	95.8 (6)
O29—Ca1—F1	80.2 (4)	O107—Nb10—O165	90.9 (5)
O29—Ca1—O97	108.5 (4)	O107—Nb10—O172	91.5 (5)
O29—Ca1—O148	60.8 (4)	O107—Nb10—O198^xi	95.0 (5)
O29—Ca1—O151	133.1 (5)	O162^xi—Nb10—O165	88.6 (4)
O55—Ca1—F1	100.8 (5)	O162^xi—Nb10—O172	170.8 (4)
O55—Ca1—O97	79.9 (4)	O162^xi—Nb10—O198^xi	91.5 (4)
O55—Ca1—O148	111.9 (4)	O165—Nb10—O172	85.7 (4)
O55—Ca1—O151	76.1 (4)	O165—Nb10—O198^xi	174.1 (6)
F1—Ca1—O97	170.5 (4)	O172—Nb10—O198^xi	93.4 (4)
F1—Ca1—O148	108.9 (4)	O4—Nb4—O37	88.6 (5)
F1—Ca1—O151	80.4 (4)	O4—Nb4—O81	174.3 (4)
O97—Ca1—O148	79.3 (4)	O4—Nb4—O123	90.1 (4)
O97—Ca1—O151	90.6 (4)	O4—Nb4—O169^vii	91.4 (5)
O148—Ca1—O151	165.5 (4)	O4—Nb4—O175^vii	92.6 (4)
O20—Na2—O50	127.8 (4)	O37—Nb4—O81	89.5 (5)
O20—Na2—O52	165.5 (4)	O37—Nb4—O123	90.1 (4)
O20—Na2—O53	98.4 (4)	O37—Nb4—O169^vii	178.7 (4)
O20—Na2—O73	79.3 (4)	O37—Nb4—O175^vii	93.2 (4)
O20—Na2—O95	82.9 (4)	O81—Nb4—O123	84.5 (4)
O20—Na2—O143	90.0 (4)	O81—Nb4—O169^vii	90.3 (5)
O50—Na2—O52	66.2 (4)	O81—Nb4—O175^vii	92.9 (4)
O50—Na2—O53	106.9 (4)	O123—Nb4—O169^vii	88.6 (4)
O50—Na2—O73	61.2 (4)	O123—Nb4—O175^vii	175.9 (5)
O50—Na2—O95	81.0 (4)	O169^vii—Nb4—O175^vii	88.1 (4)
O50—Na2—O143	133.8 (5)	O4—Mn4—O37	88.6 (5)
O52—Na2—O53	78.7 (4)	O4—Mn4—O81	174.3 (4)
O52—Na2—O73	113.9 (4)	O4—Mn4—O123	90.1 (4)
O52—Na2—O95	97.1 (5)	O4—Mn4—O169^vii	91.4 (5)
O52—Na2—O143	75.8 (4)	O4—Mn4—O175^vii	92.6 (4)
O53—Na2—O73	81.1 (4)	O37—Mn4—O81	89.5 (5)
O53—Na2—O95	168.1 (5)	O37—Mn4—O123	90.1 (4)
O53—Na2—O143	89.7 (4)	O37—Mn4—O169^vii	178.7 (4)
O73—Na2—O95	110.7 (4)	O37—Mn4—O175^vii	93.2 (4)
O73—Na2—O143	164.6 (4)	O81—Mn4—O123	84.5 (4)
O95—Na2—O143	78.5 (4)	O81—Mn4—O169^vii	90.3 (5)
O20—Ca2—O50	127.8 (4)	O81—Mn4—O175^vii	92.9 (4)
O20—Ca2—O52	165.5 (4)	O123—Mn4—O169^vii	88.6 (4)
O20—Ca2—O53	98.4 (4)	O123—Mn4—O175^vii	175.9 (5)
O20—Ca2—O73	79.3 (4)	O169^vii—Mn4—O175^vii	88.1 (4)
O20—Ca2—O95	82.9 (4)	O4—Fe4—O37	88.6 (5)
O20—Ca2—O143	90.0 (4)	O4—Fe4—O81	174.3 (4)
O50—Ca2—O52	66.2 (4)	O4—Fe4—O123	90.1 (4)
O50—Ca2—O53	106.9 (4)	O4—Fe4—O169^vii	91.4 (5)
O50—Ca2—O73	61.2 (4)	O4—Fe4—O175^vii	92.6 (4)
O50—Ca2—O95	81.0 (4)	O37—Fe4—O81	89.5 (5)
O50—Ca2—O143	133.8 (5)	O37—Fe4—O123	90.1 (4)
O52—Ca2—O53	78.7 (4)	O37—Fe4—O169^vii	178.7 (4)
O52—Ca2—O73	113.9 (4)	O37—Fe4—O175^vii	93.2 (4)
O52—Ca2—O95	97.1 (5)	O81—Fe4—O123	84.5 (4)
O52—Ca2—O143	75.8 (4)	O81—Fe4—O169^vii	90.3 (5)
O53—Ca2—O73	81.1 (4)	O81—Fe4—O175^vii	92.9 (4)
O53—Ca2—O95	168.1 (5)	O123—Fe4—O169^vii	88.6 (4)
O53—Ca2—O143	89.7 (4)	O123—Fe4—O175^vii	175.9 (5)
O73—Ca2—O95	110.7 (4)	O169^vii—Fe4—O175^vii	88.1 (4)
O73—Ca2—O143	164.6 (4)	O4—Ti4—O37	88.6 (5)
O95—Ca2—O143	78.5 (4)	O4—Ti4—O81	174.3 (4)
O52—Na3—O68	131.8 (5)	O4—Ti4—O123	90.1 (4)
O52—Na3—O98	89.5 (5)	O4—Ti4—O169^vii	91.4 (5)
O52—Na3—O143	79.2 (4)	O4—Ti4—O175^vii	92.6 (4)
O52—Na3—F2	84.4 (5)	O37—Ti4—O81	89.5 (5)
O52—Na3—O167	168.2 (5)	O37—Ti4—O123	90.1 (4)
O52—Na3—O200	87.2 (4)	O37—Ti4—O169^vii	178.7 (4)
O68—Na3—O98	115.0 (4)	O37—Ti4—O175^vii	93.2 (4)
O68—Na3—O143	65.3 (4)	O81—Ti4—O123	84.5 (4)
O68—Na3—F2	71.2 (3)	O81—Ti4—O169^vii	90.3 (5)
O68—Na3—O167	60.0 (4)	O81—Ti4—O175^vii	92.9 (4)
O68—Na3—O200	126.8 (4)	O123—Ti4—O169^vii	88.6 (4)
O98—Na3—O143	81.7 (4)	O123—Ti4—O175^vii	175.9 (5)
O98—Na3—F2	173.4 (4)	O169^vii—Ti4—O175^vii	88.1 (4)
O98—Na3—O167	83.2 (4)	O18—Nb5—O68	92.3 (5)
O98—Na3—O200	96.6 (4)	O18—Nb5—O89	87.2 (5)
O143—Na3—F2	99.5 (5)	O18—Nb5—O118	176.2 (4)
O143—Na3—O167	108.8 (4)	O18—Nb5—O140	87.0 (5)
O143—Na3—O200	166.2 (5)	O18—Nb5—O143	87.7 (5)
F2—Na3—O167	102.4 (4)	O68—Nb5—O89	83.1 (5)
F2—Na3—O200	80.7 (4)	O68—Nb5—O118	88.3 (5)
O167—Na3—O200	84.5 (4)	O68—Nb5—O140	178.8 (4)
O52—Ca3—O68	131.8 (5)	O68—Nb5—O143	90.0 (5)
O52—Ca3—O98	89.5 (5)	O89—Nb5—O118	89.2 (5)
O52—Ca3—O143	79.2 (4)	O89—Nb5—O140	95.9 (5)
O52—Ca3—F2	84.4 (5)	O89—Nb5—O143	171.2 (7)
O52—Ca3—O167	168.2 (5)	O118—Nb5—O140	92.4 (5)
O52—Ca3—O200	87.2 (4)	O118—Nb5—O143	96.0 (5)
O68—Ca3—O98	115.0 (4)	O140—Nb5—O143	90.9 (5)
O68—Ca3—O143	65.3 (4)	O18—Mn5—O68	92.3 (5)
O68—Ca3—F2	71.2 (3)	O18—Mn5—O89	87.2 (5)
O68—Ca3—O167	60.0 (4)	O18—Mn5—O118	176.2 (4)
O68—Ca3—O200	126.8 (4)	O18—Mn5—O140	87.0 (5)
O98—Ca3—O143	81.7 (4)	O18—Mn5—O143	87.7 (5)
O98—Ca3—F2	173.4 (4)	O68—Mn5—O89	83.1 (5)
O98—Ca3—O167	83.2 (4)	O68—Mn5—O118	88.3 (5)
O98—Ca3—O200	96.6 (4)	O68—Mn5—O140	178.8 (4)
O143—Ca3—F2	99.5 (5)	O68—Mn5—O143	90.0 (5)
O143—Ca3—O167	108.8 (4)	O89—Mn5—O118	89.2 (5)
O143—Ca3—O200	166.2 (5)	O89—Mn5—O140	95.9 (5)
F2—Ca3—O167	102.4 (4)	O89—Mn5—O143	171.2 (7)
F2—Ca3—O200	80.7 (4)	O118—Mn5—O140	92.4 (5)
O167—Ca3—O200	84.5 (4)	O118—Mn5—O143	96.0 (5)
O55—Na4—O57	134.0 (5)	O140—Mn5—O143	90.9 (5)
O55—Na4—O83^vii	90.0 (5)	O18—Fe5—O68	92.3 (5)
O55—Na4—O151	82.6 (5)	O18—Fe5—O89	87.2 (5)
O55—Na4—O180	166.3 (5)	O18—Fe5—O118	176.2 (4)
O55—Na4—O183	87.5 (4)	O18—Fe5—O140	87.0 (5)
O55—Na4—F3	81.1 (5)	O18—Fe5—O143	87.7 (5)
O57—Na4—O83^vii	112.6 (4)	O68—Fe5—O89	83.1 (5)
O57—Na4—O151	63.5 (4)	O68—Fe5—O118	88.3 (5)
O57—Na4—O180	59.5 (4)	O68—Fe5—O140	178.8 (4)
O57—Na4—O183	126.6 (5)	O68—Fe5—O143	90.0 (5)
O57—Na4—F3	74.7 (3)	O89—Fe5—O118	89.2 (5)
O83^vii—Na4—O151	81.0 (4)	O89—Fe5—O140	95.9 (5)
O83^vii—Na4—O180	84.6 (5)	O89—Fe5—O143	171.2 (7)
O83^vii—Na4—O183	95.7 (4)	O118—Fe5—O140	92.4 (5)
O83^vii—Na4—F3	171.1 (5)	O118—Fe5—O143	96.0 (5)
O151—Na4—O180	108.8 (4)	O140—Fe5—O143	90.9 (5)
O151—Na4—O183	169.6 (5)	O18—Ti5—O68	92.3 (5)
O151—Na4—F3	98.4 (5)	O18—Ti5—O89	87.2 (5)
O180—Na4—O183	80.6 (4)	O18—Ti5—O118	176.2 (4)
O180—Na4—F3	103.9 (4)	O18—Ti5—O140	87.0 (5)
O183—Na4—F3	83.3 (4)	O18—Ti5—O143	87.7 (5)
O55—Ca4—O57	134.0 (5)	O68—Ti5—O89	83.1 (5)
O55—Ca4—O83^vii	90.0 (5)	O68—Ti5—O118	88.3 (5)
O55—Ca4—O151	82.6 (5)	O68—Ti5—O140	178.8 (4)
O55—Ca4—O180	166.3 (5)	O68—Ti5—O143	90.0 (5)
O55—Ca4—O183	87.5 (4)	O89—Ti5—O118	89.2 (5)
O55—Ca4—F3	81.1 (5)	O89—Ti5—O140	95.9 (5)
O57—Ca4—O83^vii	112.6 (4)	O89—Ti5—O143	171.2 (7)
O57—Ca4—O151	63.5 (4)	O118—Ti5—O140	92.4 (5)
O57—Ca4—O180	59.5 (4)	O118—Ti5—O143	96.0 (5)
O57—Ca4—O183	126.6 (5)	O140—Ti5—O143	90.9 (5)
O57—Ca4—F3	74.7 (3)	O1—Nb6—O119	87.2 (5)
O83^vii—Ca4—O151	81.0 (4)	O1—Nb6—O147	90.2 (4)
O83^vii—Ca4—O180	84.6 (5)	O1—Nb6—O153	92.3 (4)
O83^vii—Ca4—O183	95.7 (4)	O1—Nb6—O181	179.5 (5)
O83^vii—Ca4—F3	171.1 (5)	O1—Nb6—O186	87.6 (5)
O151—Ca4—O180	108.8 (4)	O119—Nb6—O147	93.3 (6)
O151—Ca4—O183	169.6 (5)	O119—Nb6—O153	90.6 (6)
O151—Ca4—F3	98.4 (5)	O119—Nb6—O181	93.1 (5)
O180—Ca4—O183	80.6 (4)	O119—Nb6—O186	173.0 (5)
O180—Ca4—F3	103.9 (4)	O147—Nb6—O153	175.4 (5)
O183—Ca4—F3	83.3 (4)	O147—Nb6—O181	89.3 (4)
O20^xi—Na5—O55	165.3 (4)	O147—Nb6—O186	81.9 (5)
O20^xi—Na5—O79	124.7 (4)	O153—Nb6—O181	88.2 (5)
O20^xi—Na5—O95^xi	80.8 (4)	O153—Nb6—O186	94.3 (6)
O20^xi—Na5—O97	92.5 (4)	O181—Nb6—O186	92.1 (5)
O20^xi—Na5—F3	89.7 (4)	O1—Fe6—O119	87.2 (5)
O55—Na5—O79	70.0 (4)	O1—Fe6—O147	90.2 (4)
O55—Na5—O95^xi	101.5 (5)	O1—Fe6—O153	92.3 (4)
O55—Na5—O97	82.3 (4)	O1—Fe6—O181	179.5 (5)
O55—Na5—F3	76.5 (4)	O1—Fe6—O186	87.6 (5)
O79—Na5—O95^xi	81.3 (4)	O119—Fe6—O147	93.3 (6)
O79—Na5—O97	111.3 (4)	O119—Fe6—O153	90.6 (6)
O79—Na5—F3	137.6 (5)	O119—Fe6—O181	93.1 (5)
O95^xi—Na5—O97	167.3 (4)	O119—Fe6—O186	173.0 (5)
O95^xi—Na5—F3	80.7 (4)	O147—Fe6—O153	175.4 (5)
O97—Na5—F3	88.5 (4)	O147—Fe6—O181	89.3 (4)
O20^xi—Ca5—O55	165.3 (4)	O147—Fe6—O186	81.9 (5)
O20^xi—Ca5—O79	124.7 (4)	O153—Fe6—O181	88.2 (5)
O20^xi—Ca5—O95^xi	80.8 (4)	O153—Fe6—O186	94.3 (6)
O20^xi—Ca5—O97	92.5 (4)	O181—Fe6—O186	92.1 (5)
O20^xi—Ca5—F3	89.7 (4)	O1—Mn6—O119	87.2 (5)
O55—Ca5—O79	70.0 (4)	O1—Mn6—O147	90.2 (4)
O55—Ca5—O95^xi	101.5 (5)	O1—Mn6—O153	92.3 (4)
O55—Ca5—O97	82.3 (4)	O1—Mn6—O181	179.5 (5)
O55—Ca5—F3	76.5 (4)	O1—Mn6—O186	87.6 (5)
O79—Ca5—O95^xi	81.3 (4)	O119—Mn6—O147	93.3 (6)
O79—Ca5—O97	111.3 (4)	O119—Mn6—O153	90.6 (6)
O79—Ca5—F3	137.6 (5)	O119—Mn6—O181	93.1 (5)
O95^xi—Ca5—O97	167.3 (4)	O119—Mn6—O186	173.0 (5)
O95^xi—Ca5—F3	80.7 (4)	O147—Mn6—O153	175.4 (5)
O97—Ca5—F3	88.5 (4)	O147—Mn6—O181	89.3 (4)
O59—Na6—F1	131.9 (5)	O147—Mn6—O186	81.9 (5)
O59—Na6—O83^vii	113.3 (4)	O153—Mn6—O181	88.2 (5)
O59—Na6—O151	64.5 (4)	O153—Mn6—O186	94.3 (6)
O59—Na6—F2	74.8 (4)	O181—Mn6—O186	92.1 (5)
O59—Na6—O170	61.7 (4)	O1—Ti6—O119	87.2 (5)
O59—Na6—O200	129.0 (4)	O1—Ti6—O147	90.2 (4)
F1—Na6—O83^vii	88.2 (4)	O1—Ti6—O153	92.3 (4)
F1—Na6—O151	78.9 (4)	O1—Ti6—O181	179.5 (5)
F1—Na6—F2	86.0 (4)	O1—Ti6—O186	87.6 (5)
F1—Na6—O170	165.8 (4)	O119—Ti6—O147	93.3 (6)
F1—Na6—O200	89.1 (4)	O119—Ti6—O153	90.6 (6)
O83^vii—Na6—O151	80.1 (4)	O119—Ti6—O181	93.1 (5)
O83^vii—Na6—F2	171.9 (4)	O119—Ti6—O186	173.0 (5)
O83^vii—Na6—O170	81.3 (4)	O147—Ti6—O153	175.4 (5)
O83^vii—Na6—O200	93.4 (4)	O147—Ti6—O181	89.3 (4)
O151—Na6—F2	104.3 (5)	O147—Ti6—O186	81.9 (5)
O151—Na6—O170	108.5 (5)	O153—Ti6—O181	88.2 (5)
O151—Na6—O200	166.4 (4)	O153—Ti6—O186	94.3 (6)
F2—Na6—O170	103.4 (4)	O181—Ti6—O186	92.1 (5)
F2—Na6—O200	80.9 (4)	O26—Nb7—O47	91.9 (6)
O170—Na6—O200	82.0 (4)	O26—Nb7—O50	89.5 (5)
O59—Ca6—F1	131.9 (5)	O26—Nb7—O52	87.7 (5)
O59—Ca6—O83^vii	113.3 (4)	O26—Nb7—O60	174.4 (4)
O59—Ca6—O151	64.5 (4)	O26—Nb7—O154	91.5 (5)
O59—Ca6—F2	74.8 (4)	O47—Nb7—O50	178.3 (5)
O59—Ca6—O170	61.7 (4)	O47—Nb7—O52	94.6 (5)
O59—Ca6—O200	129.0 (4)	O47—Nb7—O60	90.0 (5)
F1—Ca6—O83^vii	88.2 (4)	O47—Nb7—O154	88.6 (5)
F1—Ca6—O151	78.9 (4)	O50—Nb7—O52	86.5 (5)
F1—Ca6—F2	86.0 (4)	O50—Nb7—O60	88.8 (5)
F1—Ca6—O170	165.8 (4)	O50—Nb7—O154	90.3 (5)
F1—Ca6—O200	89.1 (4)	O52—Nb7—O60	86.8 (5)
O83^vii—Ca6—O151	80.1 (4)	O52—Nb7—O154	176.7 (5)
O83^vii—Ca6—F2	171.9 (4)	O60—Nb7—O154	93.9 (5)
O83^vii—Ca6—O170	81.3 (4)	O26—Mn7—O47	91.9 (6)
O83^vii—Ca6—O200	93.4 (4)	O26—Mn7—O50	89.5 (5)
O151—Ca6—F2	104.3 (5)	O26—Mn7—O52	87.7 (5)
O151—Ca6—O170	108.5 (5)	O26—Mn7—O60	174.4 (4)
O151—Ca6—O200	166.4 (4)	O26—Mn7—O154	91.5 (5)
F2—Ca6—O170	103.4 (4)	O47—Mn7—O50	178.3 (5)
F2—Ca6—O200	80.9 (4)	O47—Mn7—O52	94.6 (5)
O170—Ca6—O200	82.0 (4)	O47—Mn7—O60	90.0 (5)
O18—Na7—O95	136.0 (5)	O47—Mn7—O154	88.6 (5)
O18—Na7—O98	111.5 (4)	O50—Mn7—O52	86.5 (5)
O18—Na7—O143	63.3 (4)	O50—Mn7—O60	88.8 (5)
O18—Na7—O163	62.2 (4)	O50—Mn7—O154	90.3 (5)
O18—Na7—O183^i	127.1 (4)	O52—Mn7—O60	86.8 (5)
O18—Na7—F3^i	76.4 (4)	O52—Mn7—O154	176.7 (5)
O95—Na7—O98	86.6 (4)	O60—Mn7—O154	93.9 (5)
O95—Na7—O143	81.2 (5)	O26—Fe7—O47	91.9 (6)
O95—Na7—O163	160.8 (5)	O26—Fe7—O50	89.5 (5)
O95—Na7—O183^i	88.7 (5)	O26—Fe7—O52	87.7 (5)
O95—Na7—F3^i	86.1 (4)	O26—Fe7—O60	174.4 (4)
O98—Na7—O143	82.0 (4)	O26—Fe7—O154	91.5 (5)
O98—Na7—O163	79.2 (4)	O47—Fe7—O50	178.3 (5)
O98—Na7—O183^i	94.3 (4)	O47—Fe7—O52	94.6 (5)
O98—Na7—F3^i	171.8 (4)	O47—Fe7—O60	90.0 (5)
O143—Na7—O163	109.1 (5)	O47—Fe7—O154	88.6 (5)
O143—Na7—O183^i	169.4 (4)	O50—Fe7—O52	86.5 (5)
O143—Na7—F3^i	100.4 (5)	O50—Fe7—O60	88.8 (5)
O163—Na7—O183^i	79.7 (5)	O50—Fe7—O154	90.3 (5)
O163—Na7—F3^i	107.1 (4)	O52—Fe7—O60	86.8 (5)
O183^i—Na7—F3^i	82.0 (4)	O52—Fe7—O154	176.7 (5)
O18—Ca7—O95	136.0 (5)	O60—Fe7—O154	93.9 (5)
O18—Ca7—O98	111.5 (4)	O26—Ti7—O47	91.9 (6)
O18—Ca7—O143	63.3 (4)	O26—Ti7—O50	89.5 (5)
O18—Ca7—O163	62.2 (4)	O26—Ti7—O52	87.7 (5)
O18—Ca7—O183^i	127.1 (4)	O26—Ti7—O60	174.4 (4)
O18—Ca7—F3^i	76.4 (4)	O26—Ti7—O154	91.5 (5)
O95—Ca7—O98	86.6 (4)	O47—Ti7—O50	178.3 (5)
O95—Ca7—O143	81.2 (5)	O47—Ti7—O52	94.6 (5)
O95—Ca7—O163	160.8 (5)	O47—Ti7—O60	90.0 (5)
O95—Ca7—O183^i	88.7 (5)	O47—Ti7—O154	88.6 (5)
O95—Ca7—F3^i	86.1 (4)	O50—Ti7—O52	86.5 (5)
O98—Ca7—O143	82.0 (4)	O50—Ti7—O60	88.8 (5)
O98—Ca7—O163	79.2 (4)	O50—Ti7—O154	90.3 (5)
O98—Ca7—O183^i	94.3 (4)	O52—Ti7—O60	86.8 (5)
O98—Ca7—F3^i	171.8 (4)	O52—Ti7—O154	176.7 (5)
O143—Ca7—O163	109.1 (5)	O60—Ti7—O154	93.9 (5)
O143—Ca7—O183^i	169.4 (4)	O57—Fe8—O59	94.1 (5)
O143—Ca7—F3^i	100.4 (5)	O57—Fe8—O104	92.3 (5)
O163—Ca7—O183^i	79.7 (5)	O57—Fe8—O142	90.6 (5)
O163—Ca7—F3^i	107.1 (4)	O57—Fe8—O151	89.0 (5)
O183^i—Ca7—F3^i	82.0 (4)	O57—Fe8—O157	177.6 (6)
O45—Na8—O46	89.8 (4)	O59—Fe8—O104	88.1 (5)
O45—Na8—O117	99.0 (4)	O59—Fe8—O142	173.6 (4)
O45—Na8—O119	86.4 (4)	O59—Fe8—O151	86.0 (5)
O45—Na8—O146	168.9 (6)	O59—Fe8—O157	88.0 (5)
O45—Na8—O153	112.8 (4)	O104—Fe8—O142	87.3 (5)
O45—Na8—O177	79.2 (4)	O104—Fe8—O151	174.0 (6)
O46—Na8—O117	97.0 (5)	O104—Fe8—O157	86.7 (5)
O46—Na8—O119	75.1 (5)	O142—Fe8—O151	98.6 (5)
O46—Na8—O146	80.1 (4)	O142—Fe8—O157	87.2 (5)
O46—Na8—O153	130.0 (4)	O151—Fe8—O157	92.2 (5)
O46—Na8—O177	166.3 (4)	O57—Mn8—O59	94.1 (5)
O117—Na8—O119	170.6 (5)	O57—Mn8—O104	92.3 (5)
O117—Na8—O146	77.7 (4)	O57—Mn8—O142	90.6 (5)
O117—Na8—O153	120.7 (5)	O57—Mn8—O151	89.0 (5)
O117—Na8—O177	76.8 (4)	O57—Mn8—O157	177.6 (6)
O119—Na8—O146	95.5 (4)	O59—Mn8—O104	88.1 (5)
O119—Na8—O153	63.3 (4)	O59—Mn8—O142	173.6 (4)
O119—Na8—O177	112.0 (5)	O59—Mn8—O151	86.0 (5)
O146—Na8—O153	77.6 (4)	O59—Mn8—O157	88.0 (5)
O146—Na8—O177	110.0 (5)	O104—Mn8—O142	87.3 (5)
O153—Na8—O177	62.8 (4)	O104—Mn8—O151	174.0 (6)
O45—Ca8—O46	89.8 (4)	O104—Mn8—O157	86.7 (5)
O45—Ca8—O117	99.0 (4)	O142—Mn8—O151	98.6 (5)
O45—Ca8—O119	86.4 (4)	O142—Mn8—O157	87.2 (5)
O45—Ca8—O146	168.9 (6)	O151—Mn8—O157	92.2 (5)
O45—Ca8—O153	112.8 (4)	O57—Nb8—O59	94.1 (5)
O45—Ca8—O177	79.2 (4)	O57—Nb8—O104	92.3 (5)
O46—Ca8—O117	97.0 (5)	O57—Nb8—O142	90.6 (5)
O46—Ca8—O119	75.1 (5)	O57—Nb8—O151	89.0 (5)
O46—Ca8—O146	80.1 (4)	O57—Nb8—O157	177.6 (6)
O46—Ca8—O153	130.0 (4)	O59—Nb8—O104	88.1 (5)
O46—Ca8—O177	166.3 (4)	O59—Nb8—O142	173.6 (4)
O117—Ca8—O119	170.6 (5)	O59—Nb8—O151	86.0 (5)
O117—Ca8—O146	77.7 (4)	O59—Nb8—O157	88.0 (5)
O117—Ca8—O153	120.7 (5)	O104—Nb8—O142	87.3 (5)
O117—Ca8—O177	76.8 (4)	O104—Nb8—O151	174.0 (6)
O119—Ca8—O146	95.5 (4)	O104—Nb8—O157	86.7 (5)
O119—Ca8—O153	63.3 (4)	O142—Nb8—O151	98.6 (5)
O119—Ca8—O177	112.0 (5)	O142—Nb8—O157	87.2 (5)
O146—Ca8—O153	77.6 (4)	O151—Nb8—O157	92.2 (5)
O146—Ca8—O177	110.0 (5)	O57—Ti8—O59	94.1 (5)
O153—Ca8—O177	62.8 (4)	O57—Ti8—O104	92.3 (5)
O23^i—Na9—O107^i	89.5 (4)	O57—Ti8—O142	90.6 (5)
O23^i—Na9—O110	97.5 (4)	O57—Ti8—O151	89.0 (5)
O23^i—Na9—O133	77.2 (4)	O57—Ti8—O157	177.6 (6)
O23^i—Na9—O166^i	84.5 (4)	O59—Ti8—O104	88.1 (5)
O23^i—Na9—O171	111.0 (4)	O59—Ti8—O142	173.6 (4)
O23^i—Na9—O185	173.5 (6)	O59—Ti8—O151	86.0 (5)
O107^i—Na9—O110	97.2 (5)	O59—Ti8—O157	88.0 (5)
O107^i—Na9—O133	164.1 (4)	O104—Ti8—O142	87.3 (5)
O107^i—Na9—O166^i	70.8 (5)	O104—Ti8—O151	174.0 (6)
O107^i—Na9—O171	132.7 (4)	O104—Ti8—O157	86.7 (5)
O107^i—Na9—O185	84.8 (4)	O142—Ti8—O151	98.6 (5)
O110—Na9—O133	76.2 (4)	O142—Ti8—O157	87.2 (5)
O110—Na9—O166^i	167.9 (6)	O151—Ti8—O157	92.2 (5)
O110—Na9—O171	120.2 (5)	O103^iv—Fep—O125	95.2 (4)
O110—Na9—O185	80.1 (4)	O103^iv—Fep—O139	162.0 (6)
O133—Na9—O166^i	115.8 (5)	O103^iv—Fep—O190^v	83.8 (4)
O133—Na9—O171	61.7 (4)	O125—Fep—O139	80.5 (4)
O133—Na9—O185	107.8 (5)	O125—Fep—O190^v	155.7 (5)
O166^i—Na9—O171	69.5 (4)	O139—Fep—O190^v	93.0 (4)
O166^i—Na9—O185	96.6 (4)	O103^iv—Mnp—O125	95.2 (4)
O171—Na9—O185	75.3 (4)	O103^iv—Mnp—O139	162.0 (6)
O23^i—Ca9—O107^i	89.5 (4)	O103^iv—Mnp—O189	96.6 (5)
O23^i—Ca9—O110	97.5 (4)	O103^iv—Mnp—O190^v	83.8 (4)
O23^i—Ca9—O133	77.2 (4)	O125—Mnp—O139	80.5 (4)
O23^i—Ca9—O166^i	84.5 (4)	O125—Mnp—O189	105.1 (4)
O23^i—Ca9—O171	111.0 (4)	O125—Mnp—O190^v	155.7 (5)
O23^i—Ca9—O185	173.5 (6)	O139—Mnp—O189	101.4 (4)
O107^i—Ca9—O110	97.2 (5)	O139—Mnp—O190^v	93.0 (4)
O107^i—Ca9—O133	164.1 (4)	O189—Mnp—O190^v	99.1 (5)
O107^i—Ca9—O166^i	70.8 (5)	O18—Si1—O37	117.6 (7)
O107^i—Ca9—O171	132.7 (4)	O18—Si1—O72	103.2 (7)
O107^i—Ca9—O185	84.8 (4)	O18—Si1—O163	105.3 (6)
O110—Ca9—O133	76.2 (4)	O37—Si1—O72	106.2 (6)
O110—Ca9—O166^i	167.9 (6)	O37—Si1—O163	115.8 (7)
O110—Ca9—O171	120.2 (5)	O72—Si1—O163	107.7 (6)
O110—Ca9—O185	80.1 (4)	O21^vi—Si2—O26	110.5 (6)
O133—Ca9—O166^i	115.8 (5)	O21^vi—Si2—O86^i	107.5 (7)
O133—Ca9—O171	61.7 (4)	O21^vi—Si2—O98	108.3 (8)
O133—Ca9—O185	107.8 (5)	O26—Si2—O86^i	107.5 (7)
O166^i—Ca9—O171	69.5 (4)	O26—Si2—O98	114.0 (8)
O166^i—Ca9—O185	96.6 (4)	O86^i—Si2—O98	108.9 (6)
O171—Ca9—O185	75.3 (4)	O14—Si3—O78	108.3 (7)
O19—Na10—O52	167.7 (5)	O14—Si3—O121	101.6 (7)
O19—Na10—O53	94.4 (5)	O14—Si3—O122	115.3 (7)
O19—Na10—O60	121.8 (4)	O78—Si3—O121	108.9 (6)
O19—Na10—F1	76.4 (4)	O78—Si3—O122	115.4 (7)
O19—Na10—F2	92.4 (4)	O121—Si3—O122	106.4 (7)
O52—Na10—O53	82.3 (4)	O3—Si4—O22	104.5 (6)
O52—Na10—O60	70.3 (4)	O3—Si4—O100	111.8 (7)
O52—Na10—F1	105.1 (5)	O3—Si4—O111	107.1 (7)
O52—Na10—F2	76.0 (4)	O22—Si4—O100	110.1 (7)
O53—Na10—O60	110.6 (5)	O22—Si4—O111	106.3 (7)
O53—Na10—F1	168.0 (5)	O100—Si4—O111	116.4 (6)
O53—Na10—F2	91.7 (4)	O24—Si5—O31	101.7 (6)
O60—Na10—F1	81.0 (4)	O24—Si5—O59	121.6 (7)
O60—Na10—F2	135.9 (5)	O24—Si5—O170	113.7 (7)
F1—Na10—F2	81.2 (4)	O31—Si5—O59	103.8 (7)
O19—Ca10—O52	167.7 (5)	O31—Si5—O170	112.4 (7)
O19—Ca10—O53	94.4 (5)	O59—Si5—O170	103.4 (6)
O19—Ca10—O60	121.8 (4)	O25—Si6—O67	112.2 (8)
O19—Ca10—F1	76.4 (4)	O25—Si6—O91	109.2 (7)
O19—Ca10—F2	92.4 (4)	O25—Si6—O128	112.2 (6)
O52—Ca10—O53	82.3 (4)	O67—Si6—O91	106.3 (6)
O52—Ca10—O60	70.3 (4)	O67—Si6—O128	110.8 (8)
O52—Ca10—F1	105.1 (5)	O91—Si6—O128	105.7 (7)
O52—Ca10—F2	76.0 (4)	O57—Si7—O72^xi	103.2 (8)
O53—Ca10—O60	110.6 (5)	O57—Si7—O132	117.7 (6)
O53—Ca10—F1	168.0 (5)	O57—Si7—O180	107.1 (7)
O53—Ca10—F2	91.7 (4)	O72^xi—Si7—O132	106.4 (7)
O60—Ca10—F1	81.0 (4)	O72^xi—Si7—O180	105.8 (6)
O60—Ca10—F2	135.9 (5)	O132—Si7—O180	115.2 (8)
F1—Ca10—F2	81.2 (4)	O32^iii—Si8—O33	108.5 (7)
O2—Na11—O23	111.6 (5)	O32^iii—Si8—O36	109.6 (6)
O2—Na11—O108	126.9 (4)	O32^iii—Si8—O83	109.6 (8)
O2—Na11—O117	122.1 (5)	O33—Si8—O36	104.3 (7)
O2—Na11—O146	81.7 (5)	O33—Si8—O83	112.1 (6)
O2—Na11—O148	61.1 (4)	O36—Si8—O83	112.5 (8)
O2—Na11—O166	70.0 (4)	O11—Si9—O109	112.8 (8)
O23—Na11—O108	91.5 (5)	O11—Si9—O150	113.9 (7)
O23—Na11—O117	95.3 (4)	O11—Si9—O195	110.1 (6)
O23—Na11—O146	166.6 (6)	O109—Si9—O150	107.9 (7)
O23—Na11—O148	77.9 (4)	O109—Si9—O195	102.2 (7)
O23—Na11—O166	84.3 (4)	O150—Si9—O195	109.2 (7)
O108—Na11—O117	101.2 (5)	O9—Si10—O44	102.8 (7)
O108—Na11—O146	78.2 (4)	O9—Si10—O93	109.8 (8)
O108—Na11—O148	169.0 (5)	O9—Si10—O159	105.0 (6)
O108—Na11—O166	65.5 (4)	O44—Si10—O93	118.0 (6)
O117—Na11—O146	78.5 (4)	O44—Si10—O159	107.8 (7)
O117—Na11—O148	77.2 (4)	O93—Si10—O159	112.2 (7)
O117—Na11—O166	166.6 (6)	O6—Si11—O16	104.2 (6)
O146—Na11—O148	111.8 (5)	O6—Si11—O128	110.6 (7)
O146—Na11—O166	98.8 (4)	O6—Si11—O178	108.5 (7)
O148—Na11—O166	115.7 (4)	O16—Si11—O128	108.4 (7)
O2—Ca11—O23	111.6 (5)	O16—Si11—O178	107.7 (7)
O2—Ca11—O108	126.9 (4)	O128—Si11—O178	116.6 (6)
O2—Ca11—O117	122.1 (5)	O13^xi—Si12—O75	113.3 (8)
O2—Ca11—O146	81.7 (5)	O13^xi—Si12—O149	111.8 (7)
O2—Ca11—O148	61.1 (4)	O13^xi—Si12—O168	111.9 (7)
O2—Ca11—O166	70.0 (4)	O75—Si12—O149	108.4 (6)
O23—Ca11—O108	91.5 (5)	O75—Si12—O168	105.1 (7)
O23—Ca11—O117	95.3 (4)	O149—Si12—O168	105.8 (7)
O23—Ca11—O146	166.6 (6)	O103—Si13—O114^ii	109.8 (7)
O23—Ca11—O148	77.9 (4)	O103—Si13—O154	108.5 (6)
O23—Ca11—O166	84.3 (4)	O103—Si13—O186	109.1 (7)
O108—Ca11—O117	101.2 (5)	O114^ii—Si13—O154	102.3 (7)
O108—Ca11—O146	78.2 (4)	O114^ii—Si13—O186	108.0 (6)
O108—Ca11—O148	169.0 (5)	O154—Si13—O186	118.9 (7)
O108—Ca11—O166	65.5 (4)	O7—Si14—O102	107.5 (7)
O117—Ca11—O146	78.5 (4)	O7—Si14—O124	106.5 (6)
O117—Ca11—O148	77.2 (4)	O7—Si14—O161	108.7 (8)
O117—Ca11—O166	166.6 (6)	O102—Si14—O124	105.8 (7)
O146—Ca11—O148	111.8 (5)	O102—Si14—O161	116.5 (6)
O146—Ca11—O166	98.8 (4)	O124—Si14—O161	111.2 (7)
O148—Ca11—O166	115.7 (4)	O8^vii—Si15—O48	113.7 (7)
O1—Na12—O45	109.1 (5)	O8^vii—Si15—O86	105.7 (7)
O1—Na12—O101	128.6 (4)	O8^vii—Si15—O183	108.8 (7)
O1—Na12—O110	123.6 (5)	O48—Si15—O86	105.6 (7)
O1—Na12—O119	64.5 (4)	O48—Si15—O183	114.0 (7)
O1—Na12—O185	78.5 (5)	O86—Si15—O183	108.4 (7)
O45—Na12—O101	92.1 (5)	O15—Si16—O49	104.8 (7)
O45—Na12—O110	93.1 (4)	O15—Si16—O87	112.6 (6)
O45—Na12—O119	84.4 (4)	O15—Si16—O150^ii	103.3 (7)
O45—Na12—O185	172.4 (6)	O49—Si16—O87	117.8 (7)
O101—Na12—O110	100.3 (5)	O49—Si16—O150^ii	104.1 (6)
O101—Na12—O119	72.1 (4)	O87—Si16—O150^ii	112.8 (8)
O101—Na12—O185	82.4 (5)	O43—Si17—O54	110.9 (7)
O110—Na12—O119	171.8 (6)	O43—Si17—O94	118.8 (8)
O110—Na12—O185	82.8 (4)	O43—Si17—O96	113.3 (7)
O119—Na12—O185	98.8 (4)	O54—Si17—O94	104.2 (6)
O1—Ca12—O45	109.1 (5)	O54—Si17—O96	105.0 (7)
O1—Ca12—O101	128.6 (4)	O94—Si17—O96	103.3 (7)
O1—Ca12—O110	123.6 (5)	O104—Si18—O114	104.9 (7)
O1—Ca12—O119	64.5 (4)	O104—Si18—O125	124.2 (7)
O1—Ca12—O185	78.5 (5)	O104—Si18—O152	109.9 (6)
O45—Ca12—O101	92.1 (5)	O114—Si18—O125	103.9 (5)
O45—Ca12—O110	93.1 (4)	O114—Si18—O152	106.2 (7)
O45—Ca12—O119	84.4 (4)	O125—Si18—O152	106.3 (7)
O45—Ca12—O185	172.4 (6)	O34—Si19—O110	111.6 (7)
O101—Ca12—O110	100.3 (5)	O34—Si19—O162	104.8 (7)
O101—Ca12—O119	72.1 (4)	O34—Si19—O168^i	104.2 (6)
O101—Ca12—O185	82.4 (5)	O110—Si19—O162	117.9 (7)
O110—Ca12—O119	171.8 (6)	O110—Si19—O168^i	110.0 (7)
O110—Ca12—O185	82.8 (4)	O162—Si19—O168^i	107.3 (7)
O119—Ca12—O185	98.8 (4)	O10—Si20—O38	112.7 (7)
O5^iii—Na13—O24^iii	69.5 (5)	O10—Si20—O106	104.8 (7)
O5^iii—Na13—O76	171.1 (6)	O10—Si20—O147	114.7 (7)
O5^iii—Na13—O82	75.3 (4)	O38—Si20—O106	111.5 (6)
O5^iii—Na13—O105	98.7 (4)	O38—Si20—O147	108.6 (7)
O5^iii—Na13—O188	76.1 (5)	O106—Si20—O147	104.1 (7)
O24^iii—Na13—O76	119.4 (5)	O19—Si21—O112	117.8 (7)
O24^iii—Na13—O82	106.9 (5)	O19—Si21—O124	107.6 (7)
O24^iii—Na13—O105	81.0 (5)	O19—Si21—O157	117.8 (7)
O24^iii—Na13—O188	134.2 (5)	O112—Si21—O124	101.3 (7)
O76—Na13—O82	101.5 (4)	O112—Si21—O157	106.5 (6)
O76—Na13—O105	82.7 (4)	O124—Si21—O157	103.6 (7)
O76—Na13—O188	95.9 (5)	O3—Si22—O49	108.4 (7)
O82—Na13—O105	167.1 (6)	O3—Si22—O58	112.5 (7)
O82—Na13—O188	92.1 (4)	O3—Si22—O91	109.5 (7)
O105—Na13—O188	75.3 (4)	O49—Si22—O58	109.8 (7)
O5^iii—Ca13—O24^iii	69.5 (5)	O49—Si22—O91	108.4 (7)
O5^iii—Ca13—O76	171.1 (6)	O58—Si22—O91	108.2 (7)
O5^iii—Ca13—O82	75.3 (4)	O2—Si23—O29	116.4 (6)
O5^iii—Ca13—O105	98.7 (4)	O2—Si23—O129	103.5 (6)
O5^iii—Ca13—O188	76.1 (5)	O2—Si23—O148	107.5 (7)
O24^iii—Ca13—O76	119.4 (5)	O29—Si23—O129	107.0 (8)
O24^iii—Ca13—O82	106.9 (5)	O29—Si23—O148	108.5 (7)
O24^iii—Ca13—O105	81.0 (5)	O129—Si23—O148	114.1 (6)
O24^iii—Ca13—O188	134.2 (5)	O138—Si24—O155	120.9 (6)
O76—Ca13—O82	101.5 (4)	O138—Si24—O160	99.6 (7)
O76—Ca13—O105	82.7 (4)	O138—Si24—O190	108.3 (7)
O76—Ca13—O188	95.9 (5)	O155—Si24—O160	104.6 (7)
O82—Ca13—O105	167.1 (6)	O155—Si24—O190	111.7 (7)
O82—Ca13—O188	92.1 (4)	O160—Si24—O190	110.9 (6)
O105—Ca13—O188	75.3 (4)	O1—Si25—O50	115.3 (6)
O4^iii—Na14—O35	81.1 (4)	O1—Si25—O73	110.8 (7)
O4^iii—Na14—O76	170.2 (5)	O1—Si25—O135	100.6 (6)
O4^iii—Na14—O105	102.8 (4)	O50—Si25—O73	110.8 (7)
O4^iii—Na14—O123^iii	69.7 (4)	O50—Si25—O135	112.0 (8)
O4^iii—Na14—F5	78.5 (4)	O73—Si25—O135	106.6 (6)
O35—Na14—O76	89.4 (4)	O134—Si26—O158	107.8 (7)
O35—Na14—O105	173.7 (6)	O134—Si26—O194	117.9 (7)
O35—Na14—O123^iii	103.5 (5)	O134—Si26—O198	111.7 (7)
O35—Na14—F5	96.6 (5)	O158—Si26—O194	111.8 (7)
O76—Na14—O105	86.5 (4)	O158—Si26—O198	92.8 (6)
O76—Na14—O123^iii	115.2 (5)	O194—Si26—O198	112.0 (7)
O76—Na14—F5	100.5 (5)	O6—Si27—O63	109.8 (7)
O105—Na14—O123^iii	82.6 (5)	O6—Si27—O66	106.7 (7)
O105—Na14—F5	79.5 (5)	O6—Si27—O71	110.1 (7)
O123^iii—Na14—F5	138.7 (4)	O63—Si27—O66	108.0 (6)
O4^iii—Ca14—O35	81.1 (4)	O63—Si27—O71	113.5 (7)
O4^iii—Ca14—O76	170.2 (5)	O66—Si27—O71	108.5 (6)
O4^iii—Ca14—O105	102.8 (4)	O30—Si28—O80	116.0 (6)
O4^iii—Ca14—O123^iii	69.7 (4)	O30—Si28—O144	100.3 (7)
O4^iii—Ca14—F5	78.5 (4)	O30—Si28—O188	111.8 (7)
O35—Ca14—O76	89.4 (4)	O80—Si28—O144	102.6 (7)
O35—Ca14—O105	173.7 (6)	O80—Si28—O188	109.4 (6)
O35—Ca14—O123^iii	103.5 (5)	O144—Si28—O188	116.4 (7)
O35—Ca14—F5	96.6 (5)	O65—Si29—O84	115.9 (7)
O76—Ca14—O105	86.5 (4)	O65—Si29—O85	104.8 (6)
O76—Ca14—O123^iii	115.2 (5)	O65—Si29—O131	102.9 (7)
O76—Ca14—F5	100.5 (5)	O84—Si29—O85	108.6 (7)
O105—Ca14—O123^iii	82.6 (5)	O84—Si29—O131	115.7 (6)
O105—Ca14—F5	79.5 (5)	O85—Si29—O131	108.2 (7)
O123^iii—Ca14—F5	138.7 (4)	O15^xi—Si30—O51^xi	111.6 (7)
O4^xii—Na15—O35^i	75.6 (4)	O15^xi—Si30—O66	105.6 (7)
O4^xii—Na15—O37^xii	66.9 (5)	O15^xi—Si30—O111^xi	114.3 (6)
O4^xii—Na15—O77	174.3 (7)	O51^xi—Si30—O66	109.3 (6)
O4^xii—Na15—O92	97.9 (4)	O51^xi—Si30—O111^xi	108.4 (7)
O4^xii—Na15—O179^i	76.2 (5)	O66—Si30—O111^xi	107.4 (8)
O35^i—Na15—O37^xii	99.1 (4)	O7^ii—Si31—O27	106.6 (6)
O35^i—Na15—O77	103.1 (4)	O7^ii—Si31—O38	107.3 (7)
O35^i—Na15—O92	170.3 (6)	O7^ii—Si31—O164	109.9 (7)
O35^i—Na15—O179^i	93.9 (5)	O27—Si31—O38	109.6 (7)
O37^xii—Na15—O77	118.8 (6)	O27—Si31—O164	107.2 (7)
O37^xii—Na15—O92	84.8 (5)	O38—Si31—O164	116.0 (6)
O37^xii—Na15—O179^i	136.1 (5)	O61—Si32—O69^xi	111.3 (6)
O77—Na15—O92	82.6 (4)	O61—Si32—O88	102.1 (7)
O77—Na15—O179^i	98.4 (5)	O61—Si32—O179	113.6 (7)
O92—Na15—O179^i	77.4 (5)	O69^xi—Si32—O88	104.5 (7)
O4^xii—Ca15—O35^i	75.6 (4)	O69^xi—Si32—O179	108.7 (6)
O4^xii—Ca15—O37^xii	66.9 (5)	O88—Si32—O179	116.3 (7)
O4^xii—Ca15—O77	174.3 (7)	O115—Si33—O117	111.7 (7)
O4^xii—Ca15—O92	97.9 (4)	O115—Si33—O130	106.9 (7)
O4^xii—Ca15—O179^i	76.2 (5)	O115—Si33—O195	105.1 (6)
O35^i—Ca15—O37^xii	99.1 (4)	O117—Si33—O130	115.0 (7)
O35^i—Ca15—O77	103.1 (4)	O117—Si33—O195	111.6 (7)
O35^i—Ca15—O92	170.3 (6)	O130—Si33—O195	105.9 (7)
O35^i—Ca15—O179^i	93.9 (5)	O12^vi—Si34—O33^vii	102.1 (7)
O37^xii—Ca15—O77	118.8 (6)	O12^vi—Si34—O47	108.9 (7)
O37^xii—Ca15—O92	84.8 (5)	O12^vi—Si34—O200	107.7 (7)
O37^xii—Ca15—O179^i	136.1 (5)	O33^vii—Si34—O47	109.7 (7)
O77—Ca15—O92	82.6 (4)	O33^vii—Si34—O200	109.9 (7)
O77—Ca15—O179^i	98.4 (5)	O47—Si34—O200	117.3 (8)
O92—Ca15—O179^i	77.4 (5)	O28—Si35—O35	111.3 (7)
O5^iii—Na16—O77	171.6 (6)	O28—Si35—O40	104.0 (6)
O5^iii—Na16—O82	82.2 (4)	O28—Si35—O61	105.9 (7)
O5^iii—Na16—O92	103.4 (5)	O35—Si35—O40	109.2 (8)
O5^iii—Na16—O132^iii	66.7 (5)	O35—Si35—O61	117.5 (6)
O5^iii—Na16—F4	79.1 (5)	O40—Si35—O61	108.0 (7)
O77—Na16—O82	89.5 (4)	O20—Si36—O140	112.1 (7)
O77—Na16—O92	84.9 (4)	O20—Si36—O159	110.6 (7)
O77—Na16—O132^iii	115.7 (5)	O20—Si36—O193^i	116.7 (7)
O77—Na16—F4	101.2 (5)	O140—Si36—O159	112.4 (7)
O82—Na16—O92	173.1 (6)	O140—Si36—O193^i	99.0 (6)
O82—Na16—O132^iii	99.2 (5)	O159—Si36—O193^i	105.4 (7)
O82—Na16—F4	96.3 (5)	O70—Si37—O137	108.8 (7)
O92—Na16—O132^iii	86.9 (5)	O70—Si37—O145	108.9 (7)
O92—Na16—F4	80.9 (5)	O70—Si37—O187	92.7 (6)
O132^iii—Na16—F4	139.8 (4)	O137—Si37—O145	111.4 (7)
O5^iii—Ca16—O77	171.6 (6)	O137—Si37—O187	119.9 (7)
O5^iii—Ca16—O82	82.2 (4)	O145—Si37—O187	113.1 (8)
O5^iii—Ca16—O92	103.4 (5)	O31—Si38—O68	100.8 (8)
O5^iii—Ca16—O132^iii	66.7 (5)	O31—Si38—O123	103.3 (7)
O5^iii—Ca16—F4	79.1 (5)	O31—Si38—O167	112.0 (6)
O77—Ca16—O82	89.5 (4)	O68—Si38—O123	117.0 (6)
O77—Ca16—O92	84.9 (4)	O68—Si38—O167	109.2 (7)
O77—Ca16—O132^iii	115.7 (5)	O123—Si38—O167	113.6 (8)
O77—Ca16—F4	101.2 (5)	O25—Si39—O63	103.6 (7)
O82—Ca16—O92	173.1 (6)	O25—Si39—O149^ii	110.6 (7)
O82—Ca16—O132^iii	99.2 (5)	O25—Si39—O176	113.8 (6)
O82—Ca16—F4	96.3 (5)	O63—Si39—O149^ii	102.4 (6)
O92—Ca16—O132^iii	86.9 (5)	O63—Si39—O176	116.5 (7)
O92—Ca16—F4	80.9 (5)	O149^ii—Si39—O176	109.3 (8)
O132^iii—Ca16—F4	139.8 (4)	O79^i—Si40—O133	115.6 (6)
O74—Na17—O82	99.3 (4)	O79^i—Si40—O135	102.9 (7)
O74—Na17—O83	83.7 (4)	O79^i—Si40—O171	116.2 (7)
O74—Na17—O136	101.7 (4)	O133—Si40—O135	109.3 (7)
O74—Na17—O170^iii	165.0 (5)	O133—Si40—O171	113.1 (8)
O74—Na17—O180^iii	79.7 (4)	O135—Si40—O171	97.2 (6)
O82—Na17—O83	174.1 (5)	O56—Si41—O70	103.4 (7)
O82—Na17—O136	90.4 (5)	O56—Si41—O172	118.9 (8)
O82—Na17—O170^iii	95.8 (4)	O56—Si41—O197	119.8 (6)
O82—Na17—O180^iii	92.2 (4)	O70—Si41—O172	88.0 (6)
O83—Na17—O136	94.0 (4)	O70—Si41—O197	109.8 (7)
O83—Na17—O170^iii	81.3 (4)	O172—Si41—O197	111.1 (8)
O83—Na17—O180^iii	83.3 (4)	O8—Si42—O36	108.4 (7)
O136—Na17—O170^iii	78.4 (4)	O8—Si42—O54^v	107.9 (6)
O136—Na17—O180^iii	176.8 (5)	O8—Si42—O74	111.9 (7)
O170^iii—Na17—O180^iii	99.4 (4)	O36—Si42—O54^v	102.6 (7)
O74—Ca17—O82	99.3 (4)	O36—Si42—O74	108.7 (6)
O74—Ca17—O83	83.7 (4)	O54^v—Si42—O74	116.8 (8)
O74—Ca17—O136	101.7 (4)	O34—Si43—O45	115.7 (7)
O74—Ca17—O170^iii	165.0 (5)	O34—Si43—O109	107.0 (6)
O74—Ca17—O180^iii	79.7 (4)	O34—Si43—O156	105.6 (7)
O82—Ca17—O83	174.1 (5)	O45—Si43—O109	105.5 (7)
O82—Ca17—O136	90.4 (5)	O45—Si43—O156	116.0 (6)
O82—Ca17—O170^iii	95.8 (4)	O109—Si43—O156	106.5 (7)
O82—Ca17—O180^iii	92.2 (4)	O23—Si44—O75	109.6 (8)
O83—Ca17—O136	94.0 (4)	O23—Si44—O115	113.2 (7)
O83—Ca17—O170^iii	81.3 (4)	O23—Si44—O165	114.6 (6)
O83—Ca17—O180^iii	83.3 (4)	O75—Si44—O115	106.6 (6)
O136—Ca17—O170^iii	78.4 (4)	O75—Si44—O165	109.7 (7)
O136—Ca17—O180^iii	176.8 (5)	O115—Si44—O165	102.8 (7)
O170^iii—Ca17—O180^iii	99.4 (4)	O30—Si45—O39	106.9 (7)
O14—Na18—O71	167.9 (5)	O30—Si45—O82	114.7 (6)
O14—Na18—O145	87.0 (4)	O30—Si45—O99	108.2 (7)
O14—Na18—O173	87.7 (4)	O39—Si45—O82	113.7 (8)
O14—Na18—O176	98.3 (5)	O39—Si45—O99	104.2 (6)
O14—Na18—O197	76.9 (4)	O82—Si45—O99	108.5 (8)
O71—Na18—O145	91.0 (4)	O60—Si46—O129	102.3 (7)
O71—Na18—O173	94.5 (4)	O60—Si46—O153	117.2 (7)
O71—Na18—O176	93.2 (5)	O60—Si46—O177	112.3 (6)
O71—Na18—O197	91.6 (5)	O129—Si46—O153	101.8 (6)
O145—Na18—O173	174.5 (5)	O129—Si46—O177	112.0 (7)
O145—Na18—O176	81.9 (4)	O153—Si46—O177	110.5 (8)
O145—Na18—O197	97.6 (4)	O9^ix—Si47—O17	107.7 (6)
O173—Na18—O176	97.4 (4)	O9^ix—Si47—O78	104.0 (7)
O173—Na18—O197	82.5 (4)	O9^ix—Si47—O173	109.0 (7)
O176—Na18—O197	175.1 (5)	O17—Si47—O78	111.8 (7)
O14—Ca18—O71	167.9 (5)	O17—Si47—O173	112.3 (8)
O14—Ca18—O145	87.0 (4)	O78—Si47—O173	111.6 (7)
O14—Ca18—O173	87.7 (4)	O27—Si48—O42	106.4 (8)
O14—Ca18—O176	98.3 (5)	O27—Si48—O121	108.5 (6)
O14—Ca18—O197	76.9 (4)	O27—Si48—O181	114.2 (7)
O71—Ca18—O145	91.0 (4)	O42—Si48—O121	102.6 (7)
O71—Ca18—O173	94.5 (4)	O42—Si48—O181	109.5 (6)
O71—Ca18—O176	93.2 (5)	O121—Si48—O181	114.8 (8)
O71—Ca18—O197	91.6 (5)	O64—Si49—O141	118.5 (8)
O145—Ca18—O173	174.5 (5)	O64—Si49—O158	99.8 (7)
O145—Ca18—O176	81.9 (4)	O64—Si49—O182	121.8 (6)
O145—Ca18—O197	97.6 (4)	O141—Si49—O158	88.9 (5)
O173—Ca18—O176	97.4 (4)	O141—Si49—O182	110.7 (8)
O173—Ca18—O197	82.5 (4)	O158—Si49—O182	110.6 (7)
O176—Ca18—O197	175.1 (5)	O12—Si50—O21	104.2 (7)
O74—Ca19—O77	97.8 (5)	O12—Si50—O85	110.3 (6)
O74—Ca19—O127	104.8 (4)	O12—Si50—O116	113.1 (7)
O74—Ca19—O163^xii	166.4 (6)	O21—Si50—O85	106.9 (7)
O74—Ca19—O180^iii	83.1 (4)	O21—Si50—O116	112.8 (6)
O74—Ca19—O183^iii	82.8 (5)	O85—Si50—O116	109.3 (8)
O77—Ca19—O127	91.4 (4)	O97—Si51—O102	109.2 (7)
O77—Ca19—O163^xii	94.8 (4)	O97—Si51—O142	124.6 (8)
O77—Ca19—O180^iii	88.6 (4)	O97—Si51—O193	113.6 (6)
O77—Ca19—O183^iii	170.6 (4)	O102—Si51—O142	104.4 (6)
O127—Ca19—O163^xii	79.8 (4)	O102—Si51—O193	105.5 (7)
O127—Ca19—O180^iii	172.0 (5)	O142—Si51—O193	97.6 (7)
O127—Ca19—O183^iii	97.5 (4)	O94—Si52—O126	114.0 (8)
O163^xii—Ca19—O180^iii	92.3 (4)	O94—Si52—O175	102.3 (7)
O163^xii—Ca19—O183^iii	83.9 (5)	O94—Si52—O199^x	105.1 (6)
O180^iii—Ca19—O183^iii	82.2 (4)	O126—Si52—O175	116.8 (6)
O74—Na19—O77	97.8 (5)	O126—Si52—O199^x	112.8 (7)
O74—Na19—O127	104.8 (4)	O175—Si52—O199^x	104.5 (7)
O74—Na19—O163^xii	166.4 (6)	O39—Si53—O62	112.7 (6)
O74—Na19—O180^iii	83.1 (4)	O39—Si53—O69	104.9 (7)
O74—Na19—O183^iii	82.8 (5)	O39—Si53—O77	114.5 (7)
O77—Na19—O127	91.4 (4)	O62—Si53—O69	106.1 (6)
O77—Na19—O163^xii	94.8 (4)	O62—Si53—O77	109.8 (7)
O77—Na19—O180^iii	88.6 (4)	O69—Si53—O77	108.3 (7)
O77—Na19—O183^iii	170.6 (4)	O44—Si54—O53	111.8 (7)
O127—Na19—O163^xii	79.8 (4)	O44—Si54—O112	98.3 (7)
O127—Na19—O180^iii	172.0 (5)	O44—Si54—O118	105.5 (6)
O127—Na19—O183^iii	97.5 (4)	O53—Si54—O112	114.6 (6)
O163^xii—Na19—O180^iii	92.3 (4)	O53—Si54—O118	120.4 (8)
O163^xii—Na19—O183^iii	83.9 (5)	O112—Si54—O118	103.5 (7)
O180^iii—Na19—O183^iii	82.2 (4)	O17—Si55—O41	106.5 (8)
O76—Ca20—O116^iv	96.3 (5)	O17—Si55—O106^xi	109.4 (5)
O76—Ca20—O136	92.4 (4)	O17—Si55—O113	112.1 (7)
O76—Ca20—O167^iii	86.0 (4)	O41—Si55—O106^xi	106.4 (7)
O76—Ca20—O170^iii	94.4 (4)	O41—Si55—O113	115.4 (6)
O76—Ca20—O200^iii	170.9 (4)	O106^xi—Si55—O113	106.8 (7)
O116^iv—Ca20—O136	102.7 (4)	O65—Si56—O90	112.0 (8)
O116^iv—Ca20—O167^iii	83.7 (4)	O65—Si56—O184	105.8 (7)
O116^iv—Ca20—O170^iii	168.9 (5)	O65—Si56—O191	104.5 (5)
O116^iv—Ca20—O200^iii	85.7 (4)	O90—Si56—O184	116.9 (6)
O136—Ca20—O167^iii	173.5 (5)	O90—Si56—O191	110.1 (7)
O136—Ca20—O170^iii	80.0 (4)	O184—Si56—O191	106.7 (7)
O136—Ca20—O200^iii	95.9 (4)	O28—Si57—O76	112.0 (7)
O167^iii—Ca20—O170^iii	93.9 (4)	O28—Si57—O80	99.4 (7)
O167^iii—Ca20—O200^iii	85.4 (4)	O28—Si57—O120	108.1 (6)
O170^iii—Ca20—O200^iii	83.3 (4)	O76—Si57—O80	116.9 (7)
O76—Na20—O116^iv	96.3 (5)	O76—Si57—O120	111.0 (7)
O76—Na20—O136	92.4 (4)	O80—Si57—O120	108.6 (6)
O76—Na20—O167^iii	86.0 (4)	O81—Si58—O89	109.5 (7)
O76—Na20—O170^iii	94.4 (4)	O81—Si58—O139	110.3 (8)
O76—Na20—O200^iii	170.9 (4)	O81—Si58—O160^v	101.4 (6)
O116^iv—Na20—O136	102.7 (4)	O89—Si58—O139	118.0 (6)
O116^iv—Na20—O167^iii	83.7 (4)	O89—Si58—O160^v	106.9 (7)
O116^iv—Na20—O170^iii	168.9 (5)	O139—Si58—O160^v	109.3 (6)
O116^iv—Na20—O200^iii	85.7 (4)	O22^iv—Si59—O99	106.8 (6)
O136—Na20—O167^iii	173.5 (5)	O22^iv—Si59—O120	103.7 (7)
O136—Na20—O170^iii	80.0 (4)	O22^iv—Si59—O136	119.1 (7)
O136—Na20—O200^iii	95.9 (4)	O99—Si59—O120	107.2 (7)
O167^iii—Na20—O170^iii	93.9 (4)	O99—Si59—O136	107.6 (7)
O167^iii—Na20—O200^iii	85.4 (4)	O120—Si59—O136	111.8 (6)
O170^iii—Na20—O200^iii	83.3 (4)	O131^vi—Si60—O174	104.6 (6)
O43—Ca21—O56	82.4 (4)	O131^vi—Si60—O192	107.3 (7)
O43—Ca21—O71	94.2 (4)	O131^vi—Si60—O199	102.0 (6)
O43—Ca21—O137	167.4 (5)	O174—Si60—O192	115.2 (7)
O43—Ca21—O178	97.7 (4)	O174—Si60—O199	108.2 (8)
O43—Ca21—O196	84.3 (4)	O192—Si60—O199	117.9 (7)
O56—Ca21—O71	91.1 (4)	O96—Si61—O169	104.1 (6)
O56—Ca21—O137	100.6 (4)	O96—Si61—O191	100.7 (6)
O56—Ca21—O178	177.9 (5)	O96—Si61—O196	107.5 (7)
O56—Ca21—O196	81.0 (4)	O169—Si61—O191	105.3 (7)
O71—Ca21—O137	98.0 (4)	O169—Si61—O196	123.1 (7)
O71—Ca21—O178	86.8 (5)	O191—Si61—O196	113.6 (7)
O71—Ca21—O196	172.1 (5)	O16^v—Si62—O40^i	106.5 (6)
O137—Ca21—O178	79.8 (4)	O16^v—Si62—O62	104.7 (7)
O137—Ca21—O196	84.1 (4)	O16^v—Si62—O127	117.3 (7)
O178—Ca21—O196	101.1 (5)	O40^i—Si62—O62	106.5 (7)
O43—Na21—O56	82.4 (4)	O40^i—Si62—O127	104.6 (7)
O43—Na21—O71	94.2 (4)	O62—Si62—O127	116.4 (7)
O43—Na21—O137	167.4 (5)	O21^vi—K15—O26	49.1 (3)
O43—Na21—O178	97.7 (4)	O21^vi—K15—O65^vi	65.4 (4)
O43—Na21—O196	84.3 (4)	O21^vi—K15—O152^ii	166.0 (6)
O56—Na21—O71	91.1 (4)	O21^vi—K15—O154	101.2 (4)
O56—Na21—O137	100.6 (4)	O21^vi—K15—O184^vi	111.8 (5)
O56—Na21—O178	177.9 (5)	O26—K15—O65^vi	111.7 (4)
O56—Na21—O196	81.0 (4)	O26—K15—O152^ii	141.3 (6)
O71—Na21—O137	98.0 (4)	O26—K15—O154	53.9 (3)
O71—Na21—O178	86.8 (5)	O26—K15—O184^vi	143.8 (5)
O71—Na21—O196	172.1 (5)	O65^vi—K15—O152^ii	101.1 (4)
O137—Na21—O178	79.8 (4)	O65^vi—K15—O154	165.6 (4)
O137—Na21—O196	84.1 (4)	O65^vi—K15—O184^vi	48.8 (3)
O178—Na21—O196	101.1 (5)	O152^ii—K15—O154	91.8 (4)
O14—Ca22—O42	100.1 (4)	O152^ii—K15—O184^vi	54.2 (3)
O14—Ca22—O46	170.1 (5)	O154—K15—O184^vi	140.9 (5)
O14—Ca22—O108	70.4 (4)	O81^ix—K16—O94^viii	99.0 (5)
O14—Ca22—O145	83.6 (4)	O81^ix—K16—O96^viii	101.0 (4)
O14—Ca22—O146	90.5 (5)	O81^ix—K16—O138	96.2 (5)
O42—Ca22—O46	73.1 (4)	O81^ix—K16—O160	48.7 (4)
O42—Ca22—O108	168.0 (5)	O81^ix—K16—O169^viii	54.0 (3)
O42—Ca22—O145	83.7 (4)	O81^ix—K16—O175^viii	53.9 (4)
O42—Ca22—O146	86.6 (5)	O94^viii—K16—O96^viii	46.4 (3)
O46—Ca22—O108	115.3 (4)	O94^viii—K16—O138	150.8 (4)
O46—Ca22—O145	102.4 (4)	O94^viii—K16—O160	139.8 (5)
O46—Ca22—O146	82.0 (4)	O94^viii—K16—O169^viii	69.0 (4)
O108—Ca22—O145	102.0 (5)	O94^viii—K16—O175^viii	46.0 (3)
O108—Ca22—O146	86.1 (5)	O96^viii—K16—O138	152.0 (6)
O145—Ca22—O146	167.6 (5)	O96^viii—K16—O160	144.9 (4)
O14—Na22—O42	100.1 (4)	O96^viii—K16—O169^viii	47.7 (3)
O14—Na22—O46	170.1 (5)	O96^viii—K16—O175^viii	71.0 (4)
O14—Na22—O108	70.4 (4)	O138—K16—O160	47.6 (3)
O14—Na22—O145	83.6 (4)	O138—K16—O169^viii	139.0 (5)
O14—Na22—O146	90.5 (5)	O138—K16—O175^viii	136.7 (6)
O42—Na22—O46	73.1 (4)	O160—K16—O169^viii	98.3 (4)
O42—Na22—O108	168.0 (5)	O160—K16—O175^viii	95.7 (4)
O42—Na22—O145	83.7 (4)	O169^viii—K16—O175^viii	51.4 (3)
O42—Na22—O146	86.6 (5)	O17—K17—O44^ix	59.1 (3)
O46—Na22—O108	115.3 (4)	O17—K17—O89^ix	157.9 (4)
O46—Na22—O145	102.4 (4)	O17—K17—O113	50.7 (4)
O46—Na22—O146	82.0 (4)	O17—K17—O118^ix	105.6 (4)
O108—Na22—O145	102.0 (5)	O17—K17—O122	75.0 (4)
O108—Na22—O146	86.1 (5)	O17—K17—O155	105.5 (5)
O145—Na22—O146	167.6 (5)	O44^ix—K17—O89^ix	102.1 (4)
O14—Ca23—O41	102.7 (4)	O44^ix—K17—O113	105.4 (5)
O14—Ca23—O107	172.7 (4)	O44^ix—K17—O118^ix	49.5 (3)
O14—Ca23—O108	78.6 (4)	O44^ix—K17—O122	126.4 (6)
O14—Ca23—O166	91.2 (5)	O44^ix—K17—O155	159.2 (6)
O14—Ca23—O197	85.9 (5)	O89^ix—K17—O113	136.3 (6)
O41—Ca23—O107	84.5 (4)	O89^ix—K17—O118^ix	53.5 (3)
O41—Ca23—O108	177.1 (6)	O89^ix—K17—O122	127.0 (5)
O41—Ca23—O166	92.6 (5)	O89^ix—K17—O155	89.1 (5)
O41—Ca23—O197	85.0 (4)	O113—K17—O118^ix	134.3 (5)
O107—Ca23—O108	94.2 (4)	O113—K17—O122	54.4 (3)
O107—Ca23—O166	87.0 (5)	O113—K17—O155	55.9 (4)
O107—Ca23—O197	96.2 (5)	O118^ix—K17—O122	169.2 (6)
O108—Ca23—O166	84.8 (5)	O118^ix—K17—O155	134.9 (6)
O108—Ca23—O197	97.7 (5)	O122—K17—O155	53.3 (3)
O166—Ca23—O197	175.8 (5)	O38—K18—O102^ii	78.5 (4)
O14—Na23—O41	102.7 (4)	O38—K18—O104^ii	159.6 (6)
O14—Na23—O107	172.7 (4)	O38—K18—O124^ii	60.7 (4)
O14—Na23—O108	78.6 (4)	O38—K18—O142^ii	125.1 (5)
O14—Na23—O166	91.2 (5)	O38—K18—O147	50.4 (3)
O14—Na23—O197	85.9 (5)	O38—K18—O157^ii	106.8 (5)
O41—Na23—O107	84.5 (4)	O38—K18—O186	101.2 (4)
O41—Na23—O108	177.1 (6)	O38—K18—O189^ii	80.1 (4)
O41—Na23—O166	92.6 (5)	O102^ii—K18—O104^ii	100.0 (4)
O41—Na23—O197	85.0 (4)	O102^ii—K18—O124^ii	47.0 (3)
O107—Na23—O108	94.2 (4)	O102^ii—K18—O142^ii	47.3 (3)
O107—Na23—O166	87.0 (5)	O102^ii—K18—O147	124.4 (6)
O107—Na23—O197	96.2 (5)	O102^ii—K18—O157^ii	71.2 (3)
O108—Na23—O166	84.8 (5)	O102^ii—K18—O186	146.9 (5)
O108—Na23—O197	97.7 (5)	O102^ii—K18—O189^ii	130.8 (5)
O166—Na23—O197	175.8 (5)	O104^ii—K18—O124^ii	103.2 (5)
O35^ii—Ca24—O98^xiii	176.2 (5)	O104^ii—K18—O142^ii	53.8 (3)
O35^ii—Ca24—O116	95.3 (4)	O104^ii—K18—O147	135.6 (5)
O35^ii—Ca24—O127^ix	92.2 (5)	O104^ii—K18—O157^ii	54.5 (4)
O35^ii—Ca24—O163^xiii	98.2 (4)	O104^ii—K18—O186	91.1 (5)
O35^ii—Ca24—O167^xiii	89.0 (5)	O104^ii—K18—O189^ii	86.0 (5)
O98^xiii—Ca24—O116	85.1 (4)	O124^ii—K18—O142^ii	74.0 (4)
O98^xiii—Ca24—O127^ix	91.5 (4)	O124^ii—K18—O147	107.9 (5)
O98^xiii—Ca24—O163^xiii	81.7 (4)	O124^ii—K18—O157^ii	49.7 (4)
O98^xiii—Ca24—O167^xiii	87.3 (5)	O124^ii—K18—O186	158.2 (5)
O116—Ca24—O127^ix	98.1 (4)	O124^ii—K18—O189^ii	84.0 (4)
O116—Ca24—O163^xiii	166.2 (5)	O142^ii—K18—O147	166.9 (6)
O116—Ca24—O167^xiii	82.4 (4)	O142^ii—K18—O157^ii	54.5 (3)
O127^ix—Ca24—O163^xiii	78.2 (4)	O142^ii—K18—O186	127.7 (6)
O127^ix—Ca24—O167^xiii	178.7 (6)	O142^ii—K18—O189^ii	126.0 (5)
O163^xiii—Ca24—O167^xiii	101.1 (4)	O147—K18—O157^ii	136.7 (5)
O35^ii—Na24—O98^xiii	176.2 (5)	O147—K18—O186	51.6 (4)
O35^ii—Na24—O116	95.3 (4)	O147—K18—O189^ii	66.9 (3)
O35^ii—Na24—O127^ix	92.2 (5)	O157^ii—K18—O186	137.5 (6)
O35^ii—Na24—O163^xiii	98.2 (4)	O157^ii—K18—O189^ii	73.6 (4)
O35^ii—Na24—O167^xiii	89.0 (5)	O186—K18—O189^ii	80.6 (3)
O98^xiii—Na24—O116	85.1 (4)	O125^ii—K19—O139^ii	48.3 (3)
O98^xiii—Na24—O127^ix	91.5 (4)	O15^iv—K20—O30	131.2 (5)
O98^xiii—Na24—O163^xiii	81.7 (4)	O15^iv—K20—O109	69.2 (4)
O98^xiii—Na24—O167^xiii	87.3 (5)	O15^iv—K20—O144	171.9 (6)
O116—Na24—O127^ix	98.1 (4)	O15^iv—K20—O156	118.2 (5)
O116—Na24—O163^xiii	166.2 (5)	O15^iv—K20—O195	85.3 (4)
O116—Na24—O167^xiii	82.4 (4)	O30—K20—O109	134.1 (6)
O127^ix—Na24—O163^xiii	78.2 (4)	O30—K20—O144	49.1 (4)
O127^ix—Na24—O167^xiii	178.7 (6)	O30—K20—O156	86.5 (5)
O163^xiii—Na24—O167^xiii	101.1 (4)	O30—K20—O195	143.5 (4)
O41^i—Ca25—O51	168.1 (4)	O109—K20—O144	104.8 (5)
O41^i—Ca25—O87	98.9 (4)	O109—K20—O156	52.3 (4)
O41^i—Ca25—O173^i	87.8 (4)	O109—K20—O195	48.1 (4)
O41^i—Ca25—O194	82.7 (4)	O144—K20—O156	54.5 (4)
O41^i—Ca25—O197^i	75.0 (4)	O144—K20—O195	94.6 (4)
O51—Ca25—O87	92.3 (4)	O156—K20—O195	71.1 (4)
O51—Ca25—O173^i	94.9 (4)	O25^iv—K21—O61	133.6 (5)
O51—Ca25—O194	95.0 (5)	O25^iv—K21—O75	69.6 (4)
O51—Ca25—O197^i	93.8 (4)	O25^iv—K21—O88	175.0 (7)
O87—Ca25—O173^i	95.8 (4)	O25^iv—K21—O165	120.2 (5)
O87—Ca25—O194	82.7 (4)	O61—K21—O75	137.6 (6)
O87—Ca25—O197^i	173.8 (5)	O61—K21—O88	50.8 (4)
O173^i—Ca25—O194	170.0 (5)	O61—K21—O165	88.6 (5)
O173^i—Ca25—O197^i	83.2 (4)	O75—K21—O88	105.6 (5)
O194—Ca25—O197^i	97.3 (4)	O75—K21—O165	53.0 (4)
O41^i—Na25—O51	168.1 (4)	O88—K21—O165	55.6 (4)
O41^i—Na25—O87	98.9 (4)

Symmetry codes: (i) x−1, y, z; (ii) x, y, z+1; (iii) −x+1, y+1/2, −z+1; (iv) x, y, z−1; (v) x−1, y, z−1; (vi) −x+1, y−1/2, −z+2; (vii) −x+1, y−1/2, −z+1; (viii) −x+2, y−1/2, −z+2; (ix) x+1, y, z+1; (x) −x+2, y+1/2, −z+2; (xi) x+1, y, z; (xii) −x, y+1/2, −z+1; (xiii) −x+1, y+1/2, −z+2.