Ortho­rhom­bic cerium(III) carbonate hydroxide studied by synchrotron powder X-ray diffraction

Nagle-Cocco, L.A.V.; Bell, R.T.; Strange, N.A.

doi:10.1107/S2056989025003512

research communications

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ISSN: 2056-9890

Volume 81| Part 6| June 2025| Pages 530-533

https://doi.org/10.1107/S2056989025003512

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Orthorhombic cerium(III) carbonate hydroxide studied by synchrotron powder X-ray diffraction

Liam A. V. Nagle-Cocco,^a Robert T. Bell ^b and Nicholas A. Strange ^a ^*

^aStanford Synchrotron Radiation Lightsource, SLAC National Accelerator, Laboratory, Menlo Park, California, 94025, USA, and ^bNational Renewable Energy Laboratory, Golden, Colorado, 80401, USA
^*Correspondence e-mail: [email protected]

Edited by M. Weil, Vienna University of Technology, Austria (Received 17 March 2025; accepted 18 April 2025; online 15 May 2025)

Cerium(III) carbonate is a precursor material for the synthesis of various Ce-containing compounds. In this work, a synchrotron powder X-ray diffraction study of commercially obtained ‘cerium(III) carbonate hydrate' indicates that multiple Ce-containing phases are present. The majority phase CeCO₃OH (52.49%_wt) was refined using an orthorhombic Pmcn structure model with a = 5.01019 (2) Å, b = 8.55011 (4) Å and c = 7.31940 (4) Å, which is based on a reported structure for the lanthanoid carbonate mineral ancylite. Additionally, a substantial portion of the precursor material is cubic cerium(IV) oxide (47.12%_wt).

Keywords: crystal structure; synchrotron radiation; carbonate; precursor; powder diffraction; isotypism.

CCDC references: 2445085; 2445084; 2445083

1. Chemical context

Cerium(III) carbonate is a precursor material in the synthesis of various materials, such as the (Ca,Ce)(Ti,Mn)O₃ (Wexler et al., 2023 ) and Ba₄CeMn₃O₁₂ (Bell et al., 2022 ) perovskites, which are of interest for solar thermochemical hydrogen (STCH) production. There are no reported crystal structures deposited in the Inorganic Crystal Structure Database (ICSD; Zagorac et al. 2019 ) with the nominal Ce₂(CO₃)₃ composition; instead, reported structures typically include H₂O or hydroxide groups. For instance, a hexagonal cerium(III) carbonate hydroxide, CeCO₃OH, has been reported from a mineralogical study (ICSD 238537; Michiba et al., 2013 ), and an orthorhombic hydrated carbonate phase, Ce₂(CO₃)_3.8H₂O, has been synthesized (ICSD 410859; Daiguebonne et al., 2001 ). A precise accounting for the hydroxide and hydrate groups in precursor compounds is necessary for the synthesis, as the calculation of correct mass ratios is dependent on accurate knowledge of the mass per formula unit.

In this work, part of a project investigating Ce-containing perovskites for STCH production, we sought to characterize precisely the different crystalline phases present in a commercially obtained ‘cerium(III) carbonate hydrate' precursor material. The synchrotron X-ray diffraction pattern collected on the ‘cerium(III) carbonate hydrate' sample is shown in Fig. 1. We found that the experimental diffraction pattern was complex, and could not be fit solely using structures deposited in the ICSD. We also found that the sample, in fact, does not correspond to ‘cerium(III) carbonate hydrate' but is a mixture of three other phases.

Figure 1
Synchrotron powder X-ray diffraction data, as a function of momentum transfer Q, for the studied ‘cerium(III) carbonate hydrate' sample (blue points), over which is superimposed a triphasic calculated diffraction pattern (orange) consisting of the Rietveld-refined orthorhombic Pmcn CeCO₃OH phase (52.49%_wt), cubic Fm $[\overline{3}]$ m CeO₂ (47.12%_wt), and previously reported hexagonal P $[\overline{6}]$ CeCO₃OH (0.40%_wt). The difference pattern is shown in green.

Many of the Bragg reflections could be attributed to a cerium(IV) oxide phase with cubic symmetry in space group Fm $[\overline{3}]$ m (ICSD 24887; Ma et al., 2020 ). Some low-intensity reflections could be attributed to the previously reported phase CeCO₃OH with hexagonal P $[\overline{6}]$ symmetry (ICSD 238537; Michiba et al., 2013). The remaining prominent reflections could not be fitted with any phase reported in the ICSD. An orthorhombic cerium carbonate hydroxide phase based on the LnCO₃OH structural template of the mineral ancylite (ICSD 4242; Dal Negro et al., 1975 ) was used as a starting point to fit these reflections with space group Pmcn. After independently solving the Pmcn structure, we found that a Pmcn cerium carbonate hydroxide structure has been reported previously, for instance by Wei et al. (2021 ). However, this structure was not deposited in the ICSD and atomic positions were not reported.

2. Structural commentary

The crystal structure of the newly-reported CeCO₃OH phase is visualized in Fig. 2. The Ce1 atom, the C1 atom and two of the O atoms (O1, O3) are situated at a special position with point group symmetry m (multiplicity 4, Wyckoff letter c), and the third O atom (O2) is situated at a general position (8 d).

Figure 2
The unit cell of the orthorhombic cerium(III) carbonate hydroxide phase. Color code: Ce: yellow. CO₃ triangles: brown planes with red vertices; O within hydroxide group: pink. Note that H atoms were not included in the refinement and so are not included in the structure.

The coordination sphere around Ce1 is shown in Fig. 3. Each Ce^III cation has five CO₃ groups coordinating to it; with three of these, two O atoms are chelating the Ce^III cation with two O atoms [with Ce—O bond lengths of 2.5697 (8) Å and 2.723 (2) Å], and with the other two CO₃ groups only a single O is bonded to the Ce^III cation [with Ce—O bond length of 2.650 (3) Å]. Additionally, each Ce³⁺ cation has two OH⁻ groups bonded to it via the O atom [with Ce—O bond lengths of 2.396 (3) Å and 2.458 (3) Å]. This indicates a coordination number of 10 and an average bond length of 2.606 Å, well within the mean bond length and its standard deviation of 2.595±0.098 Å reported by Gagné (2018 ) for CeO₁₀ coordination polyhedra.

Figure 3
The coordination sphere of the Ce^III cations in the orthorhombic CeCO₃OH phase from two different angles shown in (a) and (b). Color codes are as in Fig. 2

Within the carbonate CO₃ group, the C—O bonds are between 1.262 (7) and 1.293 (4) Å, which is typical of reported C—O bond lengths for carbonates (mean 1.284 Å with standard deviation ±0.020 Å; Gagné & Hawthorne, 2018 ).

The H-atom position of the OH⁻ group was not located and the H atom is not included in the finally modeled structure. We therefore make no comment regarding O—H bond lengths or hydrogen-bonding interactions.

3. Database survey

The reported orthorhombic CeCO₃OH is a synthetic analog to the naturally occurring mineral ancylite (ICSD 4242; Dal Negro et al., 1975), in which the cation site is typically occupied by some combination of different lanthanoids and the hydroxide group may be partially substituted by a hydrate group (Belovitskaya et al., 2002 ). In the mineral form, non-rare earths such as Ca (ICSD 94065; Petersen et al., 2001 ) and Pb (ICSD 125071; Wu et al., 2023 ) have also been reported on the Ce site.

Amongst the isotypic lanthanoid carbonate hydroxide phases (Ln = La, Pr, Nd, Sm, Eu, Gd) with a 1:1:1 ratio of metal:carbonate:hydroxide, the reported structure in this work is fairly typical, in that it is an orthorhombic cell with four Ln cations per unit cell, and has two OH groups bonded to each Ln, and 5 CO₃ groups bonded to each Ln with a 3:2 ratio of CO₃ groups with two and one O—Ln bonds respectively (Hämmer & Höppe, 2019 ).

The reported CeCO₃OH structure differs from some other metal carbonate hydroxide phases, however. For instance, it is quite different to a reported zinc carbonate hydroxide phase (hydrozincite with ideal formula Zn₅(CO₃)₂(OH)₆; Ghose, 1964 ), which is monoclinic. However, hydrozincite does not have the same 1:1:1 ratio of metal:carbonate:hydroxide as the structure discussed in this article so an equivalent structure would not be expected.

Wei et al. (2021) report diffraction peak positions consistent with JCPDS card #41-0013. The defunct JCPDS database entries are now largely contained within the International Centre for Diffraction Data Powder Diffraction Files (ICDD-PDF) database. A search of ICDD-PDF for related structures revealed two entries #00-046-0369 and #00-043-0602 for Ce₂(CO₃)₂(OH)₂·H₂O (D'Assuncao et al., 1989 ) and Ce₂O(CO₃)₂·H₂O (Bentzen et al., 1987 ), respectively. Both entries only include unit cell parameters from indexing, where the former phase was indexed based on similarity with Nd₂(CO₃)₂(OH)₄·xH₂O. While the lattice parameters reported by Bentzen et al. (1987) are within 1% error of the values of the present study, the absence of a structure refinement and analogous lanthanoid oxy-carbonate hydrate structures leads us to believe that the structure they report is actually the hydroxide phase reported in the present work.

4. Experimental

Commercial ‘cerium(III) carbonate hydrate' (REacton^TM grade 99.000%, lot: Y011E058) was purchased from Alfa Aesar. Synchrotron powder X-ray diffraction data were obtained at Stanford Synchrotron Radiation Lightsource (SSRL) beamline 2-1 (Stone et al., 2023 ); wavelength was refined against a NIST 660C LaB₆ standard. During the measurement, the sample was stored in a Nordson (141-0158) Kapton capillary with a 0.7112 mm outer diameter and 0.002 mm wall thickness.

5. Refinement

Structural data of the orthorhombic cerium(III) carbonate hydroxide title compound are given in Table 1. Diffraction data were fit by the Rietveld method (Rietveld, 1969 , 2014 ) using Topas (Academic version 7; Coelho, 2018 ). Background was modelled using an order-13 Chebyshev polynomial; Bragg reflection peakshapes were modelled using the Thompson-Cox-Hastings pseudo-Voigt function (Thompson et al., 1987 ); the approach of Stephens (1999 ) was used to model anisotropic peak broadening. As a result of their negligible X-ray scattering factor, H atoms were not located and thus are not included in any structural models in the Rietveld fit. For each site, isotropic atomic displacement parameters (U_iso) were refined against the data, with U_iso for sites of the same element constrained to be equal.

Table 1
Experimental details

	Ce(CO₃)(OH)
Crystal data
M_r	217.14
Crystal system, space group	Orthorhombic, Pmcn
Temperature (K)	300
a, b, c (Å)	5.01416 (15), 8.5569 (3), 7.3252 (2)
V (Å³)	314.29 (2)
Z	4
Radiation type	Synchrotron, λ = 0.729472 Å
μ (mm⁻¹)	15.48
Specimen shape, size (mm)	Cylinder, 1 × 0.71

Data collection
Diffractometer	SSRL beam line 2-1
Specimen mounting	Kapton Capillary
Data collection mode	Transmission
Scan method	Step
2θ values (°)	2θ_min = 0.01, 2θ_max = 116.605, 2θ_step = 0.005

Refinement
R factors and goodness of fit	R_p = 2.574, R_wp = 3.583, R_exp = 15.749, χ² = 0.052
No. of parameters	49
Computer programs: spec X-ray diffraction software (local program), Topas 7 (Academic Version; Coelho, 2018), SSRL BL 2-1 Python integration script (Stone et al., 2023), VESTA-III (Momma & Izumi, 2011 ) and publCIF (Westrip, 2010 ).

Supporting information

CCDC references: 2445085; 2445084; 2445083

Crystal structure: contains datablocks I, CeriumIV_Oxide, CeriumIII_carbonate_hydroxide, Alfa_Aesar_CeIII_Carbonate. DOI: https://doi.org/10.1107/S2056989025003512/wm5755sup1.cif

checkCIF report

Computing details top

Cerium(III) carbonate hydroxide (I) top

Crystal data top

Ce(CO₃)(OH)	Z = 4
M_r = 217.14	D_x = 4.568 Mg m⁻³
Orthorhombic, Pmcn	Synchrotron radiation, λ = 0.729472 Å
a = 5.01416 (15) Å	µ = 15.48 mm⁻¹
b = 8.5569 (3) Å	T = 300 K
c = 7.3252 (2) Å	cylinder, 1 × 0.71 mm
V = 314.29 (2) Å³

Data collection top

SSRL beam line 2-1 diffractometer	Scan method: step
Specimen mounting: Kapton Capillary	2θ_min = 0.01°, 2θ_max = 116.605°, 2θ_step = 0.005°
Data collection mode: transmission

Refinement top

R_p = 2.574	49 parameters
R_wp = 3.583	0 restraints
R_exp = 15.749

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

	x	y	z	U_iso*/U_eq
Ce1	0.25	0.33442 (4)	0.64574 (6)	0.00597 (8)
C1	0.75	0.1810 (8)	0.8028 (8)	0.0182 (16)
O1	0.75	0.3087 (4)	0.7166 (4)	0.0066 (5)
O2	0.5236 (4)	0.1167 (2)	0.8416 (4)	0.0066 (5)
O3	0.25	0.4027 (4)	0.9717 (5)	0.0066 (5)

Geometric parameters (Å, º) top

Ce1—O3ⁱ	2.396 (3)	O1—C1^xii	3.033 (7)
Ce1—O3	2.458 (3)	O1—O2^xii	3.040 (4)
Ce1—O1	2.5697 (8)	O1—O2ⁱⁱⁱ	3.040 (4)
Ce1—O1ⁱⁱ	2.5697 (8)	O2—C1	1.293 (4)
Ce1—O2ⁱⁱⁱ	2.650 (3)	O2—O1	2.197 (4)
Ce1—O2ⁱ	2.650 (3)	O2—O2^vii	2.271 (4)
Ce1—O2^iv	2.670 (2)	O2—Ce1^xiii	2.650 (3)
Ce1—O2^v	2.670 (2)	O2—Ce1^viii	2.670 (2)
Ce1—O2	2.723 (2)	O2—Ce1	2.723 (2)
Ce1—O2^vi	2.723 (2)	O2—O2^vi	2.744 (4)
Ce1—C1^v	2.989 (7)	O2—O3	2.963 (4)
Ce1—C1	3.055 (4)	O2—O1^viii	3.001 (4)
Ce1—C1ⁱⁱ	3.055 (4)	O2—O1^ix	3.040 (4)
C1—O1	1.262 (7)	O2—O3ⁱ	3.041 (4)
C1—O2^vii	1.293 (4)	O2—O2^xiv	3.071 (5)
C1—O2	1.293 (4)	O2—O3^viii	3.148 (4)
C1—Ce1^viii	2.989 (7)	O3—Ce1^xiii	2.396 (3)
C1—O1^ix	3.033 (7)	O3—Ce1	2.458 (3)
C1—Ce1^x	3.055 (4)	O3—O2	2.963 (4)
C1—Ce1	3.055 (4)	O3—O2^vi	2.963 (4)
C1—O3^viii	3.117 (7)	O3—O3^xv	3.038 (3)
O1—C1	1.262 (7)	O3—O3^xvi	3.038 (3)
O1—O2^vii	2.197 (4)	O3—O2^xiii	3.041 (4)
O1—O2	2.197 (4)	O3—O2^xvii	3.041 (4)
O1—Ce1^x	2.5697 (8)	O3—C1^v	3.117 (7)
O1—Ce1	2.5697 (8)	O3—O2^iv	3.148 (4)
O1—O2^v	3.001 (4)	O3—O2^v	3.148 (4)
O1—O2^xi	3.001 (4)

O3—Ce1—O3ⁱ	135.89 (9)	O2ⁱⁱⁱ—O1—O2^xii	43.85 (10)
O1—Ce1—O3	79.87 (7)	O2ⁱⁱⁱ—O1—C1^xii	24.59 (8)
O1—Ce1—O3ⁱ	92.01 (8)	O2ⁱⁱⁱ—O1—O2^xi	81.83 (10)
O1ⁱⁱ—Ce1—O1	154.65 (14)	O2ⁱⁱⁱ—O1—O2^v	61.09 (10)
O1ⁱⁱ—Ce1—O3	79.87 (7)	O2ⁱⁱⁱ—O1—Ce1	55.61 (6)
O1ⁱⁱ—Ce1—O3ⁱ	92.01 (8)	O2ⁱⁱⁱ—O1—Ce1^x	99.42 (10)
O2ⁱⁱⁱ—Ce1—O1ⁱⁱ	133.51 (9)	O2ⁱⁱⁱ—O1—O2	109.91 (12)
O2ⁱⁱⁱ—Ce1—O1	71.24 (9)	O2ⁱⁱⁱ—O1—O2^vii	136.59 (17)
O2ⁱⁱⁱ—Ce1—O3	141.19 (7)	O2ⁱⁱⁱ—O1—C1	129.3 (3)
O2ⁱⁱⁱ—Ce1—O3ⁱ	71.73 (8)	O1—O2—C1	30.3 (3)
O2ⁱ—Ce1—O2ⁱⁱⁱ	62.36 (10)	O2^vii—O2—O1	58.89 (7)
O2ⁱ—Ce1—O1ⁱⁱ	71.24 (9)	O2^vii—O2—C1	28.6 (3)
O2ⁱ—Ce1—O1	133.51 (9)	Ce1^xiii—O2—O2^vii	121.18 (5)
O2ⁱ—Ce1—O3	141.19 (7)	Ce1^xiii—O2—O1	119.97 (13)
O2ⁱ—Ce1—O3ⁱ	71.73 (8)	Ce1^xiii—O2—C1	124.9 (3)
O2^iv—Ce1—O2ⁱ	70.50 (9)	Ce1^viii—O2—Ce1^xiii	109.50 (9)
O2^iv—Ce1—O2ⁱⁱⁱ	96.11 (6)	Ce1^viii—O2—O2^vii	64.84 (5)
O2^iv—Ce1—O1ⁱⁱ	69.85 (10)	Ce1^viii—O2—O1	118.12 (11)
O2^iv—Ce1—O1	119.02 (10)	Ce1^viii—O2—C1	91.1 (3)
O2^iv—Ce1—O3	75.60 (9)	Ce1—O2—Ce1^viii	148.39 (11)
O2^iv—Ce1—O3ⁱ	141.66 (8)	Ce1—O2—Ce1^xiii	94.25 (7)
O2^v—Ce1—O2^iv	50.32 (9)	Ce1—O2—O2^vii	120.26 (5)
O2^v—Ce1—O2ⁱ	96.11 (6)	Ce1—O2—O1	61.89 (8)
O2^v—Ce1—O2ⁱⁱⁱ	70.50 (9)	Ce1—O2—C1	92.0 (3)
O2^v—Ce1—O1ⁱⁱ	119.02 (10)	O2^vi—O2—Ce1	59.74 (5)
O2^v—Ce1—O1	69.85 (10)	O2^vi—O2—Ce1^viii	115.16 (5)
O2^v—Ce1—O3	75.60 (9)	O2^vi—O2—Ce1^xiii	58.82 (5)
O2^v—Ce1—O3ⁱ	141.66 (8)	O2^vi—O2—O2^vii	180.0000 (1)
O2—Ce1—O2^v	112.74 (3)	O2^vi—O2—O1	121.11 (7)
O2—Ce1—O2^iv	144.58 (4)	O2^vi—O2—C1	151.4 (3)
O2—Ce1—O2ⁱ	144.30 (6)	O3—O2—O2^vi	62.42 (5)
O2—Ce1—O2ⁱⁱⁱ	106.88 (7)	O3—O2—Ce1	51.02 (7)
O2—Ce1—O1ⁱⁱ	109.06 (9)	O3—O2—Ce1^viii	158.85 (13)
O2—Ce1—O1	48.96 (9)	O3—O2—Ce1^xiii	50.16 (7)
O2—Ce1—O3	69.56 (8)	O3—O2—O2^vii	117.58 (5)
O2—Ce1—O3ⁱ	72.59 (9)	O3—O2—O1	75.84 (11)
O2^vi—Ce1—O2	60.51 (9)	O3—O2—C1	97.2 (3)
O2^vi—Ce1—O2^v	144.58 (4)	O1^viii—O2—O3	124.00 (8)
O2^vi—Ce1—O2^iv	112.74 (3)	O1^viii—O2—O2^vi	62.80 (5)
O2^vi—Ce1—O2ⁱ	106.88 (7)	O1^viii—O2—Ce1	107.20 (9)
O2^vi—Ce1—O2ⁱⁱⁱ	144.30 (6)	O1^viii—O2—Ce1^viii	53.50 (5)
O2^vi—Ce1—O1ⁱⁱ	48.96 (9)	O1^viii—O2—Ce1^xiii	91.23 (8)
O2^vi—Ce1—O1	109.06 (9)	O1^viii—O2—O2^vii	117.20 (5)
O2^vi—Ce1—O3	69.56 (8)	O1^viii—O2—O1	146.49 (13)
O2^vi—Ce1—O3ⁱ	72.59 (9)	O1^viii—O2—C1	138.1 (3)
C1^v—Ce1—O2^vi	127.77 (10)	O1^ix—O2—O1^viii	118.91 (10)
C1^v—Ce1—O2	127.77 (10)	O1^ix—O2—O3	73.06 (10)
C1^v—Ce1—O2^v	25.63 (5)	O1^ix—O2—O2^vi	111.93 (5)
C1^v—Ce1—O2^iv	25.63 (5)	O1^ix—O2—Ce1	121.37 (10)
C1^v—Ce1—O2ⁱ	87.09 (11)	O1^ix—O2—Ce1^viii	89.98 (10)
C1^v—Ce1—O2ⁱⁱⁱ	87.09 (11)	O1^ix—O2—Ce1^xiii	53.15 (6)
C1^v—Ce1—O1ⁱⁱ	93.41 (9)	O1^ix—O2—O2^vii	68.07 (5)
C1^v—Ce1—O1	93.41 (9)	O1^ix—O2—O1	91.51 (10)
C1^v—Ce1—O3	69.01 (14)	O1^ix—O2—C1	77.4 (3)
C1^v—Ce1—O3ⁱ	155.10 (14)	O3ⁱ—O2—O1^ix	169.99 (11)
C1—Ce1—C1^v	112.26 (11)	O3ⁱ—O2—O1^viii	67.64 (10)
C1—Ce1—O2^vi	85.47 (11)	O3ⁱ—O2—O3	97.05 (9)
C1—Ce1—O2	25.03 (11)	O3ⁱ—O2—O2^vi	63.19 (5)
C1—Ce1—O2^v	91.53 (12)	O3ⁱ—O2—Ce1	48.74 (7)
C1—Ce1—O2^iv	136.43 (13)	O3ⁱ—O2—Ce1^viii	100.00 (10)
C1—Ce1—O2ⁱ	144.04 (12)	O3ⁱ—O2—Ce1^xiii	121.61 (8)
C1—Ce1—O2ⁱⁱⁱ	87.69 (11)	O3ⁱ—O2—O2^vii	116.81 (5)
C1—Ce1—O1ⁱⁱ	133.46 (12)	O3ⁱ—O2—O1	84.41 (12)
C1—Ce1—O1	24.00 (13)	O3ⁱ—O2—C1	102.9 (3)
C1—Ce1—O3	74.71 (12)	O2^xiv—O2—O3ⁱ	127.11 (13)
C1—Ce1—O3ⁱ	80.59 (13)	O2^xiv—O2—O1^ix	58.82 (11)
C1ⁱⁱ—Ce1—C1	110.3 (2)	O2^xiv—O2—O1^viii	60.09 (9)
C1ⁱⁱ—Ce1—C1^v	112.26 (11)	O2^xiv—O2—O3	104.96 (14)
C1ⁱⁱ—Ce1—O2^vi	25.03 (11)	O2^xiv—O2—O2^vi	85.58 (8)
C1ⁱⁱ—Ce1—O2	85.47 (11)	O2^xiv—O2—Ce1	143.56 (12)
C1ⁱⁱ—Ce1—O2^v	136.43 (13)	O2^xiv—O2—Ce1^viii	54.44 (6)
C1ⁱⁱ—Ce1—O2^iv	91.53 (12)	O2^xiv—O2—Ce1^xiii	55.06 (9)
C1ⁱⁱ—Ce1—O2ⁱ	87.69 (11)	O2^xiv—O2—O2^vii	94.42 (8)
C1ⁱⁱ—Ce1—O2ⁱⁱⁱ	144.04 (12)	O2^xiv—O2—O1	147.24 (15)
C1ⁱⁱ—Ce1—O1ⁱⁱ	24.00 (13)	O2^xiv—O2—C1	120.7 (3)
C1ⁱⁱ—Ce1—O1	133.46 (12)	O3^viii—O2—O2^xiv	101.58 (11)
C1ⁱⁱ—Ce1—O3	74.71 (12)	O3^viii—O2—O3ⁱ	58.77 (8)
C1ⁱⁱ—Ce1—O3ⁱ	80.59 (13)	O3^viii—O2—O1^ix	130.26 (9)
O2^vii—C1—O1	118.6 (3)	O3^viii—O2—O1^viii	63.29 (8)
O2—C1—O2^vii	122.8 (5)	O3^viii—O2—O3	151.88 (12)
O2—C1—O1	118.6 (3)	O3^viii—O2—O2^vi	111.14 (5)
Ce1^viii—C1—O2	63.3 (3)	O3^viii—O2—Ce1	101.29 (10)
Ce1^viii—C1—O2^vii	63.3 (3)	O3^viii—O2—Ce1^viii	49.15 (7)
Ce1^viii—C1—O1	157.2 (4)	O3^viii—O2—Ce1^xiii	153.08 (10)
O1^ix—C1—Ce1^viii	84.42 (18)	O3^viii—O2—O2^vii	68.86 (5)
O1^ix—C1—O2	78.0 (3)	O3^viii—O2—O1	86.85 (13)
O1^ix—C1—O2^vii	78.0 (3)	O3^viii—O2—C1	76.8 (3)
O1^ix—C1—O1	118.3 (4)	Ce1—O3—Ce1^xiii	108.40 (12)
Ce1^x—C1—O1^ix	111.34 (14)	O2—O3—Ce1	59.42 (9)
Ce1^x—C1—Ce1^viii	118.28 (13)	O2—O3—Ce1^xiii	58.12 (8)
Ce1^x—C1—O2	170.4 (4)	O2^vi—O3—O2	55.15 (10)
Ce1^x—C1—O2^vii	62.95 (18)	O2^vi—O3—Ce1	59.42 (9)
Ce1^x—C1—O1	55.91 (11)	O2^vi—O3—Ce1^xiii	58.12 (8)
Ce1—C1—Ce1^x	110.3 (2)	O3^xv—O3—O2^vi	96.59 (9)
Ce1—C1—O1^ix	111.34 (14)	O3^xv—O3—O2	151.48 (15)
Ce1—C1—Ce1^viii	118.28 (13)	O3^xv—O3—Ce1	105.23 (13)
Ce1—C1—O2	62.95 (18)	O3^xv—O3—Ce1^xiii	113.06 (13)
Ce1—C1—O2^vii	170.4 (4)	O3^xvi—O3—O3^xv	111.2 (2)
Ce1—C1—O1	55.91 (11)	O3^xvi—O3—O2^vi	151.48 (15)
O3^viii—C1—Ce1	94.90 (14)	O3^xvi—O3—O2	96.59 (9)
O3^viii—C1—Ce1^x	94.90 (14)	O3^xvi—O3—Ce1	105.23 (13)
O3^viii—C1—O1^ix	131.8 (2)	O3^xvi—O3—Ce1^xiii	113.06 (13)
O3^viii—C1—Ce1^viii	47.42 (12)	O2^xiii—O3—O3^xvi	106.29 (16)
O3^viii—C1—O2	79.4 (3)	O2^xiii—O3—O3^xv	62.36 (11)
O3^viii—C1—O2^vii	79.4 (3)	O2^xiii—O3—O2^vi	91.88 (9)
O3^viii—C1—O1	109.8 (4)	O2^xiii—O3—O2	116.78 (12)
O2^vii—O1—C1	31.12 (8)	O2^xiii—O3—Ce1	148.48 (9)
O2—O1—O2^vii	62.22 (15)	O2^xiii—O3—Ce1^xiii	58.67 (8)
O2—O1—C1	31.12 (8)	O2^xvii—O3—O2^xiii	53.62 (10)
Ce1^x—O1—O2	130.71 (14)	O2^xvii—O3—O3^xvi	62.36 (11)
Ce1^x—O1—O2^vii	69.15 (7)	O2^xvii—O3—O3^xv	106.29 (16)
Ce1^x—O1—C1	100.09 (9)	O2^xvii—O3—O2^vi	116.78 (12)
Ce1—O1—Ce1^x	154.65 (14)	O2^xvii—O3—O2	91.88 (9)
Ce1—O1—O2	69.15 (7)	O2^xvii—O3—Ce1	148.48 (9)
Ce1—O1—O2^vii	130.71 (14)	O2^xvii—O3—Ce1^xiii	58.67 (8)
Ce1—O1—C1	100.09 (9)	C1^v—O3—O2^xvii	128.04 (14)
O2^v—O1—Ce1	56.65 (6)	C1^v—O3—O2^xiii	128.04 (14)
O2^v—O1—Ce1^x	110.01 (12)	C1^v—O3—O3^xvi	70.68 (13)
O2^v—O1—O2	118.67 (5)	C1^v—O3—O3^xv	70.68 (13)
O2^v—O1—O2^vii	162.19 (15)	C1^v—O3—O2^vi	115.06 (15)
O2^v—O1—C1	146.2 (2)	C1^v—O3—O2	115.06 (15)
O2^xi—O1—O2^v	54.40 (10)	C1^v—O3—Ce1	63.57 (14)
O2^xi—O1—Ce1	110.01 (12)	C1^v—O3—Ce1^xiii	171.97 (18)
O2^xi—O1—Ce1^x	56.65 (6)	O2^iv—O3—C1^v	23.82 (7)
O2^xi—O1—O2	162.19 (15)	O2^iv—O3—O2^xvii	147.54 (12)
O2^xi—O1—O2^vii	118.67 (5)	O2^iv—O3—O2^xiii	121.23 (8)
O2^xi—O1—C1	146.2 (2)	O2^iv—O3—O3^xvi	94.48 (15)
C1^xii—O1—O2^xi	80.36 (15)	O2^iv—O3—O3^xv	58.86 (11)
C1^xii—O1—O2^v	80.36 (15)	O2^iv—O3—O2^vi	94.53 (8)
C1^xii—O1—Ce1	78.20 (7)	O2^iv—O3—O2	114.38 (11)
C1^xii—O1—Ce1^x	78.20 (7)	O2^iv—O3—Ce1	55.25 (8)
C1^xii—O1—O2	115.98 (17)	O2^iv—O3—Ce1^xiii	151.69 (10)
C1^xii—O1—O2^vii	115.98 (17)	O2^v—O3—O2^iv	42.28 (9)
C1^xii—O1—C1	121.7 (3)	O2^v—O3—C1^v	23.82 (7)
O2^xii—O1—C1^xii	24.59 (8)	O2^v—O3—O2^xvii	121.23 (8)
O2^xii—O1—O2^xi	61.09 (10)	O2^v—O3—O2^xiii	147.54 (12)
O2^xii—O1—O2^v	81.83 (10)	O2^v—O3—O3^xvi	58.86 (11)
O2^xii—O1—Ce1	99.42 (10)	O2^v—O3—O3^xv	94.48 (15)
O2^xii—O1—Ce1^x	55.61 (6)	O2^v—O3—O2^vi	114.38 (11)
O2^xii—O1—O2	136.59 (17)	O2^v—O3—O2	94.53 (8)
O2^xii—O1—O2^vii	109.91 (12)	O2^v—O3—Ce1	55.25 (8)
O2^xii—O1—C1	129.3 (3)	O2^v—O3—Ce1^xiii	151.69 (10)

Symmetry codes: (i) −x+1/2, −y+1/2, z−1/2; (ii) x−1, y, z; (iii) x, −y+1/2, z−1/2; (iv) x−1/2, y+1/2, −z+3/2; (v) −x+1, y+1/2, −z+3/2; (vi) −x+1/2, y, z; (vii) −x+3/2, y, z; (viii) −x+1, y−1/2, −z+3/2; (ix) −x+3/2, −y+1/2, z+1/2; (x) x+1, y, z; (xi) x+1/2, y+1/2, −z+3/2; (xii) −x+3/2, −y+1/2, z−1/2; (xiii) −x+1/2, −y+1/2, z+1/2; (xiv) −x+1, −y, −z+2; (xv) −x, −y+1, −z+2; (xvi) −x+1, −y+1, −z+2; (xvii) x, −y+1/2, z+1/2.

(CeriumIV_Oxide) top

Crystal data top

CeO₂	D_x = 7.151 Mg m⁻³
M_r = 172.11	Synchrotron radiation, λ = 0.729472 Å
Cubic, Fm3m	µ = 30.22 mm⁻¹
a = 5.42732 (16) Å	T = 300 K
V = 159.87 (1) Å³	cylinder, 1 × 0.71 mm
Z = 4

Data collection top

SSRL beam line 2-1 diffractometer	Scan method: step
Specimen mounting: Kapton Capillary	2θ_min = 0.01°, 2θ_max = 116.61°, 2θ_step = 0.005°
Data collection mode: transmission

Refinement top

R_p = 2.574	49 parameters
R_wp = 3.583	0 restraints
R_exp = 15.749

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

	x	y	z	U_iso*/U_eq
Ce1	0	0	0	0.00595 (6)
O1	0.25	0.25	0.25	0.0115 (4)

Geometric parameters (Å, º) top

Ce1—O1ⁱ	2.3501 (1)	O1—Ce1^ix	2.3501 (1)
Ce1—O1ⁱⁱ	2.3501 (1)	O1—Ce1^x	2.3501 (1)
Ce1—O1ⁱⁱⁱ	2.3501 (1)	O1—Ce1	2.3501 (1)
Ce1—O1^iv	2.3501 (1)	O1—O1^xi	2.7137 (1)
Ce1—O1^v	2.3501 (1)	O1—O1^xii	2.7137 (1)
Ce1—O1^vi	2.3501 (1)	O1—O1^xiii	2.7137 (1)
Ce1—O1	2.3501 (1)	O1—O1ⁱ	2.7137 (1)
Ce1—O1^vii	2.3501 (1)	O1—O1^vi	2.7137 (1)
O1—Ce1^viii	2.3501 (1)	O1—O1ⁱⁱⁱ	2.7137 (1)

O1ⁱⁱ—Ce1—O1ⁱ	70.529	O1^xi—O1—Ce1^viii	54.736
O1ⁱⁱⁱ—Ce1—O1ⁱⁱ	180.000	O1^xii—O1—O1^xi	90.000
O1ⁱⁱⁱ—Ce1—O1ⁱ	109.471	O1^xii—O1—Ce1	125.264
O1^iv—Ce1—O1ⁱⁱⁱ	70.529	O1^xii—O1—Ce1^x	125.264
O1^iv—Ce1—O1ⁱⁱ	109.471	O1^xii—O1—Ce1^ix	54.736
O1^iv—Ce1—O1ⁱ	70.529	O1^xii—O1—Ce1^viii	54.736
O1^v—Ce1—O1^iv	109.471	O1^xiii—O1—O1^xii	90.000
O1^v—Ce1—O1ⁱⁱⁱ	70.529	O1^xiii—O1—O1^xi	90.000
O1^v—Ce1—O1ⁱⁱ	109.471	O1^xiii—O1—Ce1	125.264
O1^v—Ce1—O1ⁱ	180.000	O1^xiii—O1—Ce1^x	54.736
O1^vi—Ce1—O1^v	70.529	O1^xiii—O1—Ce1^ix	54.736
O1^vi—Ce1—O1^iv	180.000	O1^xiii—O1—Ce1^viii	125.264
O1^vi—Ce1—O1ⁱⁱⁱ	109.471	O1ⁱ—O1—O1^xiii	180.000
O1^vi—Ce1—O1ⁱⁱ	70.529	O1ⁱ—O1—O1^xii	90.000
O1^vi—Ce1—O1ⁱ	109.471	O1ⁱ—O1—O1^xi	90.000
O1—Ce1—O1^vi	70.529	O1ⁱ—O1—Ce1	54.736
O1—Ce1—O1^v	109.471	O1ⁱ—O1—Ce1^x	125.264
O1—Ce1—O1^iv	109.471	O1ⁱ—O1—Ce1^ix	125.264
O1—Ce1—O1ⁱⁱⁱ	70.529	O1ⁱ—O1—Ce1^viii	54.736
O1—Ce1—O1ⁱⁱ	109.471	O1^vi—O1—O1ⁱ	90.000
O1—Ce1—O1ⁱ	70.529	O1^vi—O1—O1^xiii	90.000
O1^vii—Ce1—O1	180.000	O1^vi—O1—O1^xii	180.000
O1^vii—Ce1—O1^vi	109.471	O1^vi—O1—O1^xi	90.000
O1^vii—Ce1—O1^v	70.529	O1^vi—O1—Ce1	54.736
O1^vii—Ce1—O1^iv	70.529	O1^vi—O1—Ce1^x	54.736
O1^vii—Ce1—O1ⁱⁱⁱ	109.471	O1^vi—O1—Ce1^ix	125.264
O1^vii—Ce1—O1ⁱⁱ	70.529	O1^vi—O1—Ce1^viii	125.264
O1^vii—Ce1—O1ⁱ	109.471	O1ⁱⁱⁱ—O1—O1^vi	90.000
Ce1^ix—O1—Ce1^viii	109.471	O1ⁱⁱⁱ—O1—O1ⁱ	90.000
Ce1^x—O1—Ce1^ix	109.471	O1ⁱⁱⁱ—O1—O1^xiii	90.000
Ce1^x—O1—Ce1^viii	109.471	O1ⁱⁱⁱ—O1—O1^xii	90.000
Ce1—O1—Ce1^x	109.471	O1ⁱⁱⁱ—O1—O1^xi	180.000
Ce1—O1—Ce1^ix	109.471	O1ⁱⁱⁱ—O1—Ce1	54.736
Ce1—O1—Ce1^viii	109.471	O1ⁱⁱⁱ—O1—Ce1^x	125.264
O1^xi—O1—Ce1	125.264	O1ⁱⁱⁱ—O1—Ce1^ix	54.736
O1^xi—O1—Ce1^x	54.736	O1ⁱⁱⁱ—O1—Ce1^viii	125.264
O1^xi—O1—Ce1^ix	125.264

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

(CeriumIII_carbonate_hydroxide) top

Crystal data top

CeCHO₄	Z = 18
M_r = 217.13	D_x = 4.925 Mg m⁻³
Hexagonal, P6	Synchrotron radiation, λ = 0.729472 Å
a = 12.5550 (12) Å	µ = 16.18 mm⁻¹
c = 9.9257 (15) Å	T = 300 K
V = 1355.0 (3) Å³	cylinder, 1 × 0.71 mm

Data collection top

SSRL beam line 2-1 diffractometer	Scan method: step
Specimen mounting: Kapton Capillary	2θ_min = 0.01°, 2θ_max = 116.605°, 2θ_step = 0.005°
Data collection mode: transmission

Refinement top

R_p = 2.574	49 parameters
R_wp = 3.583	0 restraints
R_exp = 15.749

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

	x	y	z	U_iso*/U_eq
Ce1	0.10783	0.22796	0.2353	0.009010
Ce2	0.77882	0.56268	0.2542	0.013740
Ce3	0.43856	0.54375	0.25769	0.010700
C1	0.8655	0.5103	0	0.030000
C2	−0.0902	0.1104	0	0.007000
C3	0.3037	0.4637	0	0.025000
C4	0.5531	0.4206	0.5	0.026000
C5	0.5356	0.7746	0.5	0.017000
C6	−0.0247	0.1777	0.5	0.016000
O1	0.7601	0.5088	0	0.034000
O2	0.9117	0.5098	0.1118	0.017800
O3	0.0286	0.1691	0	0.016800
O4	0.2316	0.1469	0.1119	0.013900
O5	0.4114	0.5726	0	0.040000
O6	0.2516	0.4173	0.1117	0.025600
O7	0.8033	0.5032	0.5	0.030000
O8	0.5796	0.4838	0.3884	0.018600
O9	0.3638	0.5249	0.5	0.033000
O10	0.5671	0.7415	0.3879	0.021800
O11	0.0822	0.1794	0.5	0.004300
O12	−0.0721	0.1799	0.3875	0.014200
O13	0	0	0.2723	0.009100
O14	0.6667	0.3333	0.2377	0.027000
O15	0.3333	0.6667	0.2356	0.023000
O16	0.9998	0.6804	0.3218	0.016800
O17	0.6532	0.6543	0.1778	0.020400

Geometric parameters (Å, º) top

Ce1—O16ⁱ	2.4641 (2)	O5—O6^iv	3.0958 (3)
Ce1—O6	2.4745 (2)	O6—C3	1.2710 (1)
Ce1—O3	2.5010 (3)	O6—O6^vi	2.2174 (3)
Ce1—O13	2.5068 (2)	O6—O5	2.2681 (2)
Ce1—O17ⁱⁱ	2.5193 (2)	O6—Ce1	2.4745 (2)
Ce1—O12	2.5271 (2)	O6—Ce3	2.5305 (2)
Ce1—O4	2.5558 (2)	O6—O16ⁱ	2.7637 (3)
Ce1—O11	2.6799 (4)	O6—O17ⁱⁱ	2.8847 (3)
Ce1—O10ⁱⁱ	2.7318 (2)	O6—O10ⁱⁱ	2.9468 (4)
Ce1—C6	3.0033 (4)	O6—O15^iv	3.0250 (2)
Ce1—O4ⁱⁱⁱ	3.0350 (2)	O6—O15ⁱⁱ	3.0259 (2)
Ce1—C2	3.1851 (3)	O6—O15	3.0261 (2)
Ce2—O17	2.4899 (2)	O6—O5ⁱⁱ	3.0958 (3)
Ce2—O12^iv	2.4954 (2)	O6—O2ⁱ	3.0968 (3)
Ce2—O16	2.4963 (2)	O6—O3	3.1708 (3)
Ce2—O14ⁱ	2.4985 (2)	O7—C4^v	1.3111 (1)
Ce2—O14^v	2.4996 (2)	O7—O8^v	2.2868 (2)
Ce2—O14	2.4996 (2)	O7—O8^xx	2.2868 (2)
Ce2—O2	2.5158 (2)	O7—Ce2	2.6142 (3)
Ce2—O8	2.5562 (2)	O7—Ce2^xi	2.6142 (3)
Ce2—O1	2.5923 (4)	O7—C4	2.7722 (3)
Ce2—O7	2.6142 (3)	O7—O8^xi	2.9138 (2)
Ce2—O4^v	2.6789 (2)	O7—O8	2.9138 (2)
Ce2—C1	2.9493 (3)	O7—O16	2.9455 (2)
Ce3—O17	2.4651 (2)	O7—O16^xi	2.9455 (2)
Ce3—O15^iv	2.4923 (2)	O7—O12^iv	3.1764 (3)
Ce3—O15ⁱⁱ	2.4924 (2)	O7—O12^xiii	3.1764 (3)
Ce3—O15	2.4935 (2)	O8—C4	1.3051 (1)
Ce3—O16ⁱ	2.5224 (2)	O8—O8^xi	2.2154 (3)
Ce3—O6	2.5305 (2)	O8—O7^xii	2.2868 (2)
Ce3—O10	2.5362 (2)	O8—Ce2	2.5562 (2)
Ce3—O9	2.5494 (3)	O8—Ce3	2.5919 (2)
Ce3—O8	2.5919 (2)	O8—O17	2.7978 (3)
Ce3—O2ⁱ	2.6160 (2)	O8—O7	2.9138 (2)
Ce3—O5	2.6293 (4)	O8—O16ⁱ	2.9352 (3)
Ce3—C3	2.9525 (3)	O8—O2ⁱ	2.9497 (4)
Ce3—O10ⁱⁱ	3.1608 (3)	O8—O14ⁱ	3.0106 (2)
C1—O2^vi	1.2536 (1)	O8—O14^v	3.0108 (2)
C1—O2	1.2536 (1)	O8—O14	3.0116 (2)
C1—O1	1.3140 (1)	O8—O12^iv	3.1787 (3)
C1—O1^v	2.9491 (3)	O8—O9	3.1988 (3)
C1—Ce2	2.9493 (3)	O9—C5ⁱⁱ	1.3572 (1)
C1—Ce2^vi	2.9493 (3)	O9—O10^xvii	2.3410 (2)
C1—O4^vii	3.1779 (3)	O9—O10ⁱⁱ	2.3410 (2)
C1—O4^v	3.1779 (3)	O9—Ce3	2.5494 (3)
C2—O4ⁱⁱⁱ	1.2708 (1)	O9—Ce3^xi	2.5494 (3)
C2—O4^viii	1.2708 (1)	O9—C5	2.7782 (3)
C2—O3	1.2917 (1)	O9—O10	2.8648 (2)
C2—O3^viii	2.7899 (3)	O9—O10^xi	2.8648 (2)
C2—O17^ix	3.1361 (2)	O9—O16^xii	2.9430 (2)
C2—O17ⁱⁱ	3.1361 (2)	O9—O16ⁱ	2.9430 (2)
C2—O1ⁱⁱ	3.1659 (3)	O9—O8	3.1988 (3)
C2—Ce1^vi	3.1851 (3)	O9—O8^xi	3.1988 (3)
C2—Ce1	3.1851 (3)	O10—C5	1.3159 (1)
C3—O6	1.2710 (1)	O10—O10^xi	2.2253 (3)
C3—O6^vi	1.2710 (1)	O10—O9^xiii	2.3410 (2)
C3—O5	1.3598 (1)	O10—Ce3	2.5362 (2)
C3—O5ⁱⁱ	2.9095 (3)	O10—Ce1^iv	2.7318 (2)
C3—Ce3^vi	2.9525 (3)	O10—O17	2.8106 (3)
C3—Ce3	2.9525 (3)	O10—O9	2.8648 (2)
C3—O2^x	3.0221 (2)	O10—O16^xiv	2.8952 (3)
C3—O2ⁱ	3.0221 (2)	O10—O6^iv	2.9468 (4)
C4—O8	1.3051 (1)	O10—O15ⁱⁱ	3.0034 (2)
C4—O8^xi	1.3051 (1)	O10—O11^xiii	3.0039 (2)
C4—O7^xii	1.3111 (1)	O10—O15^iv	3.0042 (2)
C4—O7	2.7722 (3)	O10—O15	3.0045 (2)
C4—O16^xii	3.1004 (2)	O10—C6^xiii	3.1214 (3)
C4—O16ⁱ	3.1004 (2)	O10—O12^iv	3.1364 (3)
C5—O10^xi	1.3159 (1)	O10—Ce3^iv	3.1608 (3)
C5—O10	1.3159 (1)	O11—C6	1.3316 (1)
C5—O9^xiii	1.3572 (1)	O11—O12^xi	2.2387 (2)
C5—O9	2.7782 (3)	O11—O12	2.2387 (2)
C5—O16^xiv	3.0510 (2)	O11—Ce1	2.6799 (4)
C5—O16^xv	3.0510 (2)	O11—Ce1^xi	2.6799 (4)
C5—O11^xiii	3.1040 (3)	O11—O13^xvi	2.9869 (3)
C6—O12^xi	1.2721 (1)	O11—O13	2.9869 (3)
C6—O12	1.2721 (1)	O11—C6^xix	2.9968 (3)
C6—O11	1.3316 (1)	O11—O10ⁱⁱ	3.0039 (2)
C6—O11^xvi	2.9968 (3)	O11—O10^xvii	3.0039 (2)
C6—Ce1	3.0033 (4)	O11—C5ⁱⁱ	3.1040 (3)
C6—Ce1^xi	3.0033 (4)	O11—O16ⁱ	3.1405 (2)
C6—O10ⁱⁱ	3.1214 (3)	O11—O16^xii	3.1405 (2)
C6—O10^xvii	3.1214 (3)	O12—C6	1.2721 (1)
O1—C1	1.3140 (1)	O12—O12^xi	2.2333 (3)
O1—O2^vi	2.1978 (2)	O12—O11	2.2387 (2)
O1—O2	2.1978 (2)	O12—Ce2ⁱⁱ	2.4954 (2)
O1—Ce2^vi	2.5923 (4)	O12—Ce1	2.5271 (2)
O1—Ce2	2.5923 (4)	O12—O17ⁱⁱ	2.7644 (3)
O1—C1^x	2.9491 (3)	O12—O16ⁱⁱ	2.8549 (3)
O1—O14ⁱ	3.0346 (3)	O12—O4ⁱⁱⁱ	2.9447 (4)
O1—O14^x	3.0346 (3)	O12—O13	3.0451 (2)
O1—O14	3.0353 (3)	O12—O10ⁱⁱ	3.1364 (3)
O1—O14^vi	3.0353 (3)	O12—O7ⁱⁱ	3.1764 (3)
O1—O14^v	3.0353 (3)	O12—O8ⁱⁱ	3.1787 (3)
O1—O14^vii	3.0353 (3)	O13—Ce1^xix	2.5068 (2)
O1—O4^vii	3.0500 (3)	O13—Ce1	2.5068 (2)
O1—O4^v	3.0500 (3)	O13—Ce1ⁱⁱⁱ	2.5068 (2)
O1—O2ⁱ	3.1571 (3)	O13—O11^xvi	2.9869 (3)
O1—O2^x	3.1571 (3)	O13—O11^xix	2.9869 (3)
O1—C2^xviii	3.1659 (3)	O13—O11	2.9869 (3)
O2—C1	1.2536 (1)	O13—O4	3.0047 (2)
O2—O1	2.1978 (2)	O13—O4ⁱⁱⁱ	3.0047 (2)
O2—O2^vi	2.2194 (3)	O13—O4^xix	3.0047 (2)
O2—Ce2	2.5158 (2)	O13—O12ⁱⁱⁱ	3.0451 (2)
O2—Ce3^v	2.6160 (2)	O13—O12	3.0451 (2)
O2—O16	2.7905 (3)	O13—O12^xix	3.0451 (2)
O2—O17^v	2.8590 (3)	O14—Ce2^v	2.4985 (2)
O2—O8^v	2.9497 (4)	O14—Ce2ⁱ	2.4996 (2)
O2—O5^v	2.9872 (2)	O14—Ce2	2.4996 (2)
O2—O14ⁱ	3.0192 (2)	O14—O8^v	3.0106 (2)
O2—O14	3.0195 (2)	O14—O8ⁱ	3.0108 (2)
O2—O14^v	3.0203 (2)	O14—O8	3.0116 (2)
O2—C3^v	3.0221 (2)	O14—O2^v	3.0192 (2)
O2—O6^v	3.0968 (3)	O14—O2	3.0195 (2)
O2—O1^v	3.1571 (3)	O14—O2ⁱ	3.0203 (2)
O3—C2	1.2917 (1)	O14—O1^v	3.0346 (3)
O3—O4ⁱⁱⁱ	2.2083 (2)	O14—O1	3.0353 (3)
O3—O4^viii	2.2083 (2)	O14—O1^x	3.0353 (3)
O3—Ce1^vi	2.5010 (3)	O15—Ce3ⁱⁱ	2.4923 (2)
O3—Ce1	2.5010 (3)	O15—Ce3^iv	2.4924 (2)
O3—C2^xix	2.7899 (3)	O15—Ce3	2.4935 (2)
O3—O4^vi	2.9185 (2)	O15—O5ⁱⁱ	2.9967 (3)
O3—O4	2.9185 (2)	O15—O5^xviii	2.9967 (3)
O3—O17^ix	2.9969 (2)	O15—O5	2.9974 (3)
O3—O17ⁱⁱ	2.9969 (2)	O15—O10^iv	3.0034 (2)
O3—O6^vi	3.1708 (3)	O15—O10ⁱⁱ	3.0042 (2)
O3—O6	3.1708 (3)	O15—O10	3.0045 (2)
O4—C2^xix	1.2708 (1)	O15—O6ⁱⁱ	3.0250 (2)
O4—O3^xix	2.2083 (2)	O15—O6^iv	3.0259 (2)
O4—O4^vi	2.2214 (3)	O15—O6	3.0261 (2)
O4—Ce1	2.5558 (2)	O16—Ce1^v	2.4641 (2)
O4—Ce2ⁱ	2.6789 (2)	O16—Ce2	2.4963 (2)
O4—O16ⁱ	2.8034 (3)	O16—Ce3^v	2.5224 (2)
O4—O3	2.9185 (2)	O16—O6^v	2.7637 (3)
O4—O17ⁱ	2.9316 (3)	O16—O2	2.7905 (3)
O4—O12^xix	2.9447 (4)	O16—O4^v	2.8034 (3)
O4—O13	3.0047 (2)	O16—O12^iv	2.8549 (3)
O4—Ce1^xix	3.0350 (2)	O16—O10^xxi	2.8952 (3)
O4—O1^x	3.0500 (3)	O16—O8^v	2.9352 (3)
O4—C1^x	3.1779 (3)	O16—O9^v	2.9430 (2)
O5—C3	1.3598 (1)	O16—O7	2.9455 (2)
O5—O6	2.2681 (2)	O16—C5^xxii	3.0510 (2)
O5—O6^vi	2.2681 (2)	O16—C4^v	3.1004 (2)
O5—Ce3^vi	2.6293 (4)	O16—O11^v	3.1405 (2)
O5—Ce3	2.6293 (4)	O17—Ce3	2.4651 (2)
O5—C3^xviii	2.9095 (3)	O17—Ce2	2.4899 (2)
O5—O2ⁱ	2.9872 (2)	O17—Ce1^iv	2.5193 (2)
O5—O2^x	2.9872 (2)	O17—O12^iv	2.7644 (3)
O5—O15^xviii	2.9967 (3)	O17—O8	2.7978 (3)
O5—O15^iv	2.9967 (3)	O17—O10	2.8106 (3)
O5—O15^ix	2.9967 (3)	O17—O2ⁱ	2.8590 (3)
O5—O15ⁱⁱ	2.9967 (3)	O17—O6^iv	2.8847 (3)
O5—O15^vi	2.9974 (3)	O17—O4^v	2.9316 (3)
O5—O15	2.9974 (3)	O17—O3^xviii	2.9969 (2)
O5—O6^xviii	3.0958 (3)	O17—C2^xviii	3.1361 (2)

O6—Ce1—O16ⁱ	68.056 (5)	O15^iv—O6—Ce1	119.969 (7)
O3—Ce1—O6	79.175 (7)	O15^iv—O6—O5	67.212 (6)
O3—Ce1—O16ⁱ	129.8011 (2)	O15^iv—O6—O6^vi	113.988 (4)
O13—Ce1—O3	83.771 (4)	O15^iv—O6—C3	92.857 (7)
O13—Ce1—O6	152.565 (2)	O15ⁱⁱ—O6—O15^iv	0.0173 (1)
O13—Ce1—O16ⁱ	108.7737 (16)	O15ⁱⁱ—O6—O10ⁱⁱ	60.385 (3)
O17ⁱⁱ—Ce1—O13	124.4587 (3)	O15ⁱⁱ—O6—O17ⁱⁱ	88.7935 (18)
O17ⁱⁱ—Ce1—O3	73.3033 (17)	O15ⁱⁱ—O6—O16ⁱ	97.647 (7)
O17ⁱⁱ—Ce1—O6	70.5643 (14)	O15ⁱⁱ—O6—Ce3	52.383 (2)
O17ⁱⁱ—Ce1—O16ⁱ	124.9270 (7)	O15ⁱⁱ—O6—Ce1	119.982 (7)
O12—Ce1—O17ⁱⁱ	66.432 (5)	O15ⁱⁱ—O6—O5	67.196 (6)
O12—Ce1—O13	74.4448 (8)	O15ⁱⁱ—O6—O6^vi	113.981 (4)
O12—Ce1—O3	108.161 (8)	O15ⁱⁱ—O6—C3	92.844 (7)
O12—Ce1—O6	131.403 (3)	O15—O6—O15ⁱⁱ	0.0234 (1)
O12—Ce1—O16ⁱ	122.034 (8)	O15—O6—O15^iv	0.0119 (1)
O4—Ce1—O12	147.1714 (15)	O15—O6—O10ⁱⁱ	60.378 (3)
O4—Ce1—O17ⁱⁱ	137.442 (6)	O15—O6—O17ⁱⁱ	88.7713 (18)
O4—Ce1—O13	72.806 (2)	O15—O6—O16ⁱ	97.659 (7)
O4—Ce1—O3	70.489 (6)	O15—O6—Ce3	52.405 (2)
O4—Ce1—O6	81.271 (4)	O15—O6—Ce1	119.973 (7)
O4—Ce1—O16ⁱ	67.869 (5)	O15—O6—O5	67.210 (6)
O11—Ce1—O4	114.016 (5)	O15—O6—O6^vi	113.979 (4)
O11—Ce1—O12	50.824 (4)	O15—O6—C3	92.851 (7)
O11—Ce1—O17ⁱⁱ	108.5367 (13)	O5ⁱⁱ—O6—O15	58.603 (5)
O11—Ce1—O13	70.2311 (5)	O5ⁱⁱ—O6—O15ⁱⁱ	58.620 (5)
O11—Ce1—O3	149.713 (5)	O5ⁱⁱ—O6—O15^iv	58.615 (5)
O11—Ce1—O6	130.658 (3)	O5ⁱⁱ—O6—O10ⁱⁱ	92.292 (6)
O11—Ce1—O16ⁱ	75.123 (4)	O5ⁱⁱ—O6—O17ⁱⁱ	64.688 (3)
O10ⁱⁱ—Ce1—O11	67.423 (7)	O5ⁱⁱ—O6—O16ⁱ	151.7995 (16)
O10ⁱⁱ—Ce1—O4	132.857 (2)	O5ⁱⁱ—O6—Ce3	108.452 (3)
O10ⁱⁱ—Ce1—O12	73.108 (5)	O5ⁱⁱ—O6—Ce1	120.015 (2)
O10ⁱⁱ—Ce1—O17ⁱⁱ	64.572 (5)	O5ⁱⁱ—O6—O5	72.644 (3)
O10ⁱⁱ—Ce1—O13	136.916 (6)	O5ⁱⁱ—O6—O6^vi	69.014 (3)
O10ⁱⁱ—Ce1—O3	133.255 (3)	O5ⁱⁱ—O6—C3	69.672 (3)
O10ⁱⁱ—Ce1—O6	68.738 (8)	O2ⁱ—O6—O5ⁱⁱ	138.2089 (15)
O10ⁱⁱ—Ce1—O16ⁱ	67.498 (2)	O2ⁱ—O6—O15	103.0890 (4)
C6—Ce1—O10ⁱⁱ	65.751 (6)	O2ⁱ—O6—O15ⁱⁱ	103.0656 (4)
C6—Ce1—O11	26.318 (4)	O2ⁱ—O6—O15^iv	103.0804 (4)
C6—Ce1—O4	135.9611 (18)	O2ⁱ—O6—O10ⁱⁱ	111.373 (3)
C6—Ce1—O12	24.7246 (6)	O2ⁱ—O6—O17ⁱⁱ	157.0762 (13)
C6—Ce1—O17ⁱⁱ	85.397 (5)	O2ⁱ—O6—O16ⁱ	56.525 (4)
C6—Ce1—O13	72.8880 (3)	O2ⁱ—O6—Ce3	54.281 (2)
C6—Ce1—O3	131.157 (8)	O2ⁱ—O6—Ce1	101.7483 (5)
C6—Ce1—O6	134.183 (2)	O2ⁱ—O6—O5	65.5648 (11)
C6—Ce1—O16ⁱ	98.538 (8)	O2ⁱ—O6—O6^vi	90.0184 (1)
O4ⁱⁱⁱ—Ce1—C6	85.388 (8)	O2ⁱ—O6—C3	74.733 (2)
O4ⁱⁱⁱ—Ce1—O10ⁱⁱ	121.160 (2)	O3—O6—O2ⁱ	110.1894 (5)
O4ⁱⁱⁱ—Ce1—O11	106.843 (5)	O3—O6—O5ⁱⁱ	96.156 (3)
O4ⁱⁱⁱ—Ce1—O4	103.942 (5)	O3—O6—O15	146.6079 (8)
O4ⁱⁱⁱ—Ce1—O12	63.158 (8)	O3—O6—O15ⁱⁱ	146.6312 (8)
O4ⁱⁱⁱ—Ce1—O17ⁱⁱ	62.9117 (10)	O3—O6—O15^iv	146.6157 (8)
O4ⁱⁱⁱ—Ce1—O13	64.849 (2)	O3—O6—O10ⁱⁱ	103.443 (4)
O4ⁱⁱⁱ—Ce1—O3	45.7692 (5)	O3—O6—O17ⁱⁱ	59.102 (3)
O4ⁱⁱⁱ—Ce1—O6	114.557 (6)	O3—O6—O16ⁱ	98.284 (4)
O4ⁱⁱⁱ—Ce1—O16ⁱ	171.3141 (1)	O3—O6—Ce3	154.5642 (1)
C2—Ce1—O4ⁱⁱⁱ	23.4161 (13)	O3—O6—Ce1	50.782 (8)
C2—Ce1—C6	108.784 (9)	O3—O6—O5	129.851 (8)
C2—Ce1—O10ⁱⁱ	130.042 (4)	O3—O6—O6^vi	69.533 (3)
C2—Ce1—O11	129.519 (6)	O3—O6—C3	98.315 (8)
C2—Ce1—O4	87.318 (7)	O8^v—O7—C4^v	28.992 (4)
C2—Ce1—O12	85.999 (10)	O8^xx—O7—O8^v	57.946 (9)
C2—Ce1—O17ⁱⁱ	65.4949 (10)	O8^xx—O7—C4^v	28.992 (4)
C2—Ce1—O13	74.189 (4)	Ce2—O7—O8^xx	138.8427 (11)
C2—Ce1—O3	22.3854 (18)	Ce2—O7—O8^v	81.301 (8)
C2—Ce1—O6	96.147 (8)	Ce2—O7—C4^v	110.229 (3)
C2—Ce1—O16ⁱ	151.8603 (15)	Ce2^xi—O7—Ce2	137.900 (7)
O12^iv—Ce2—O17	67.354 (5)	Ce2^xi—O7—O8^xx	81.301 (8)
O16—Ce2—O12^iv	69.7710 (18)	Ce2^xi—O7—O8^v	138.8427 (11)
O16—Ce2—O17	125.5583 (9)	Ce2^xi—O7—C4^v	110.229 (3)
O14ⁱ—Ce2—O16	121.2583 (1)	C4—O7—Ce2^xi	80.4324 (15)
O14ⁱ—Ce2—O12^iv	147.535 (3)	C4—O7—Ce2	80.4324 (15)
O14ⁱ—Ce2—O17	112.9651 (9)	C4—O7—O8^xx	127.7044 (19)
O14^v—Ce2—O14ⁱ	0.0148 (1)	C4—O7—O8^v	127.7044 (19)
O14^v—Ce2—O16	121.2720 (1)	C4—O7—C4^v	133.265
O14^v—Ce2—O12^iv	147.526 (3)	O8^xi—O7—C4	26.388 (3)
O14^v—Ce2—O17	112.9520 (9)	O8^xi—O7—Ce2^xi	54.7608 (15)
O14—Ce2—O14^v	0.0288 (1)	O8^xi—O7—Ce2	97.619 (6)
O14—Ce2—O14ⁱ	0.0142 (1)	O8^xi—O7—O8^xx	120.513 (7)
O14—Ce2—O16	121.2443 (1)	O8^xi—O7—O8^v	151.1679 (8)
O14—Ce2—O12^iv	147.540 (3)	O8^xi—O7—C4^v	141.4088 (19)
O14—Ce2—O17	112.9788 (9)	O8—O7—O8^xi	44.687 (7)
O2—Ce2—O14	74.0320 (1)	O8—O7—C4	26.388 (3)
O2—Ce2—O14^v	74.0557 (1)	O8—O7—Ce2^xi	97.619 (6)
O2—Ce2—O14ⁱ	74.0427 (1)	O8—O7—Ce2	54.7608 (15)
O2—Ce2—O16	67.661 (5)	O8—O7—O8^xx	151.1679 (8)
O2—Ce2—O12^iv	133.469 (3)	O8—O7—O8^v	120.513 (7)
O2—Ce2—O17	127.415 (8)	O8—O7—C4^v	141.4088 (19)
O8—Ce2—O2	147.1439 (17)	O16—O7—O8	104.073 (6)
O8—Ce2—O14	73.1120 (16)	O16—O7—O8^xi	134.4049 (15)
O8—Ce2—O14^v	73.0883 (16)	O16—O7—C4	130.318 (3)
O8—Ce2—O14ⁱ	73.1014 (16)	O16—O7—Ce2^xi	121.223 (6)
O8—Ce2—O16	132.211 (7)	O16—O7—Ce2	52.952 (5)
O8—Ce2—O12^iv	77.981 (5)	O16—O7—O8^xx	100.899 (5)
O8—Ce2—O17	67.330 (5)	O16—O7—O8^v	66.879 (4)
O1—Ce2—O8	117.556 (5)	O16—O7—C4^v	84.1849 (4)
O1—Ce2—O2	50.941 (4)	O16^xi—O7—O16	73.812 (10)
O1—Ce2—O14	73.1557 (16)	O16^xi—O7—O8	134.4049 (15)
O1—Ce2—O14^v	73.1568 (16)	O16^xi—O7—O8^xi	104.073 (6)
O1—Ce2—O14ⁱ	73.1546 (16)	O16^xi—O7—C4	130.318 (3)
O1—Ce2—O16	110.1838 (19)	O16^xi—O7—Ce2^xi	52.952 (5)
O1—Ce2—O12^iv	135.141 (2)	O16^xi—O7—Ce2	121.223 (6)
O1—Ce2—O17	80.119 (4)	O16^xi—O7—O8^xx	66.879 (4)
O7—Ce2—O1	147.362 (5)	O16^xi—O7—O8^v	100.899 (5)
O7—Ce2—O8	68.594 (6)	O16^xi—O7—C4^v	84.1849 (4)
O7—Ce2—O2	105.114 (8)	O12^iv—O7—O16^xi	81.659 (5)
O7—Ce2—O14	79.103 (3)	O12^iv—O7—O16	55.4402 (18)
O7—Ce2—O14^v	79.110 (3)	O12^iv—O7—O8	62.7510 (17)
O7—Ce2—O14ⁱ	79.108 (3)	O12^iv—O7—O8^xi	79.014 (3)
O7—Ce2—O16	70.347 (2)	O12^iv—O7—C4	82.9107 (2)
O7—Ce2—O12^iv	76.835 (8)	O12^iv—O7—Ce2^xi	90.693 (7)
O7—Ce2—O17	127.4663 (2)	O12^iv—O7—Ce2	49.9030 (2)
O4^v—Ce2—O7	131.117 (3)	O12^iv—O7—O8^xx	145.7189 (8)
O4^v—Ce2—O1	70.685 (7)	O12^iv—O7—O8^v	119.059 (6)
O4^v—Ce2—O8	132.731 (2)	O12^iv—O7—C4^v	139.4949 (15)
O4^v—Ce2—O2	76.664 (5)	O12^xiii—O7—O12^iv	41.164 (7)
O4^v—Ce2—O14	142.800 (5)	O12^xiii—O7—O16^xi	55.4402 (18)
O4^v—Ce2—O14^v	142.808 (5)	O12^xiii—O7—O16	81.659 (5)
O4^v—Ce2—O14ⁱ	142.802 (5)	O12^xiii—O7—O8	79.014 (3)
O4^v—Ce2—O16	65.488 (5)	O12^xiii—O7—O8^xi	62.7510 (17)
O4^v—Ce2—O12^iv	69.272 (8)	O12^xiii—O7—C4	82.9107 (2)
O4^v—Ce2—O17	68.996 (2)	O12^xiii—O7—Ce2^xi	49.9030 (2)
C1—Ce2—O4^v	68.560 (6)	O12^xiii—O7—Ce2	90.693 (7)
C1—Ce2—O7	128.720 (8)	O12^xiii—O7—O8^xx	119.059 (6)
C1—Ce2—O1	26.437 (4)	O12^xiii—O7—O8^v	145.7189 (8)
C1—Ce2—O8	139.294 (2)	O12^xiii—O7—C4^v	139.4949 (15)
C1—Ce2—O2	24.9380 (3)	O8^xi—O8—C4	31.925 (5)
C1—Ce2—O14	75.2309 (8)	O7^xii—O8—O8^xi	61.027 (4)
C1—Ce2—O14^v	75.2451 (8)	O7^xii—O8—C4	29.1380 (2)
C1—Ce2—O14ⁱ	75.2364 (8)	Ce2—O8—O7^xii	120.430 (3)
C1—Ce2—O16	86.399 (5)	Ce2—O8—O8^xi	121.406 (5)
C1—Ce2—O12^iv	137.200 (2)	Ce2—O8—C4	125.482 (4)
C1—Ce2—O17	103.417 (7)	Ce3—O8—Ce2	107.751 (7)
O15^iv—Ce3—O17	113.0721 (11)	Ce3—O8—O7^xii	120.217 (3)
O15ⁱⁱ—Ce3—O15^iv	0.0288 (1)	Ce3—O8—O8^xi	120.036 (4)
O15ⁱⁱ—Ce3—O17	113.0455 (11)	Ce3—O8—C4	126.719 (3)
O15—Ce3—O15ⁱⁱ	0.0157 (1)	O17—O8—Ce3	54.273 (3)
O15—Ce3—O15^iv	0.0135 (1)	O17—O8—Ce2	55.206 (4)
O15—Ce3—O17	113.0607 (11)	O17—O8—O7^xii	160.6054 (7)
O16ⁱ—Ce3—O15	120.8177 (1)	O17—O8—O8^xi	138.343 (5)
O16ⁱ—Ce3—O15ⁱⁱ	120.8333 (1)	O17—O8—C4	170.2560 (5)
O16ⁱ—Ce3—O15^iv	120.8054 (1)	O7—O8—O17	106.515 (4)
O16ⁱ—Ce3—O17	125.4577 (8)	O7—O8—Ce3	159.3764 (3)
O6—Ce3—O16ⁱ	66.315 (5)	O7—O8—Ce2	56.645 (8)
O6—Ce3—O15	74.0702 (1)	O7—O8—O7^xii	80.402 (3)
O6—Ce3—O15ⁱⁱ	74.0817 (1)	O7—O8—O8^xi	67.656 (4)
O6—Ce3—O15^iv	74.0580 (1)	O7—O8—C4	70.745 (4)
O6—Ce3—O17	125.380 (8)	O16ⁱ—O8—O7	146.1989 (2)
O10—Ce3—O6	147.4151 (17)	O16ⁱ—O8—O17	101.274 (5)
O10—Ce3—O16ⁱ	134.128 (7)	O16ⁱ—O8—Ce3	53.8728 (6)
O10—Ce3—O15	73.3558 (18)	O16ⁱ—O8—Ce2	133.143 (6)
O10—Ce3—O15ⁱⁱ	73.3441 (18)	O16ⁱ—O8—O7^xii	67.354 (4)
O10—Ce3—O15^iv	73.3681 (18)	O16ⁱ—O8—O8^xi	103.016 (2)
O10—Ce3—O17	68.368 (5)	O16ⁱ—O8—C4	84.711 (5)
O9—Ce3—O10	68.571 (6)	O2ⁱ—O8—O16ⁱ	56.6112 (10)
O9—Ce3—O6	107.399 (8)	O2ⁱ—O8—O7	124.4614 (17)
O9—Ce3—O16ⁱ	70.9370 (18)	O2ⁱ—O8—O17	59.592 (8)
O9—Ce3—O15	81.717 (3)	O2ⁱ—O8—Ce3	55.889 (4)
O9—Ce3—O15ⁱⁱ	81.723 (3)	O2ⁱ—O8—Ce2	77.180 (8)
O9—Ce3—O15^iv	81.716 (3)	O2ⁱ—O8—O7^xii	101.386 (7)
O9—Ce3—O17	127.1439 (1)	O2ⁱ—O8—O8^xi	158.555 (3)
O8—Ce3—O9	76.944 (7)	O2ⁱ—O8—C4	129.877 (7)
O8—Ce3—O10	80.589 (4)	O14ⁱ—O8—O2ⁱ	60.866 (4)
O8—Ce3—O6	131.189 (3)	O14ⁱ—O8—O16ⁱ	94.132 (3)
O8—Ce3—O16ⁱ	70.0316 (16)	O14ⁱ—O8—O7	66.678 (6)
O8—Ce3—O15	150.962 (3)	O14ⁱ—O8—O17	91.380 (8)
O8—Ce3—O15ⁱⁱ	150.957 (3)	O14ⁱ—O8—Ce3	116.652 (8)
O8—Ce3—O15^iv	150.971 (3)	O14ⁱ—O8—Ce2	52.568 (3)
O8—Ce3—O17	67.126 (5)	O14ⁱ—O8—O7^xii	74.491 (6)
O2ⁱ—Ce3—O8	68.994 (8)	O14ⁱ—O8—O8^xi	119.792 (4)
O2ⁱ—Ce3—O9	131.611 (3)	O14ⁱ—O8—C4	95.883 (8)
O2ⁱ—Ce3—O10	134.069 (2)	O14^v—O8—O14ⁱ	0.0237 (1)
O2ⁱ—Ce3—O6	73.967 (5)	O14^v—O8—O2ⁱ	60.858 (4)
O2ⁱ—Ce3—O16ⁱ	65.755 (5)	O14^v—O8—O16ⁱ	94.110 (3)
O2ⁱ—Ce3—O15	139.575 (5)	O14^v—O8—O7	66.693 (6)
O2ⁱ—Ce3—O15ⁱⁱ	139.577 (5)	O14^v—O8—O17	91.393 (8)
O2ⁱ—Ce3—O15^iv	139.569 (5)	O14^v—O8—Ce3	116.646 (8)
O2ⁱ—Ce3—O17	68.407 (2)	O14^v—O8—Ce2	52.591 (3)
O5—Ce3—O2ⁱ	69.431 (7)	O14^v—O8—O7^xii	74.474 (6)
O5—Ce3—O8	132.955 (2)	O14^v—O8—O8^xi	119.790 (4)
O5—Ce3—O9	149.705 (5)	O14^v—O8—C4	95.872 (8)
O5—Ce3—O10	115.072 (5)	O14—O8—O14^v	0.0176 (1)
O5—Ce3—O6	52.110 (4)	O14—O8—O14ⁱ	0.0141 (1)
O5—Ce3—O16ⁱ	110.7371 (15)	O14—O8—O2ⁱ	60.873 (4)
O5—Ce3—O15	71.5659 (14)	O14—O8—O16ⁱ	94.127 (3)
O5—Ce3—O15ⁱⁱ	71.5639 (14)	O14—O8—O7	66.676 (6)
O5—Ce3—O15^iv	71.5636 (14)	O14—O8—O17	91.394 (8)
O5—Ce3—O17	77.882 (4)	O14—O8—Ce3	116.660 (8)
C3—Ce3—O5	27.422 (4)	O14—O8—Ce2	52.579 (3)
C3—Ce3—O2ⁱ	65.410 (6)	O14—O8—O7^xii	74.477 (6)
C3—Ce3—O8	133.911 (2)	O14—O8—O8^xi	119.780 (4)
C3—Ce3—O9	131.591 (7)	O14—O8—C4	95.869 (8)
C3—Ce3—O10	138.6430 (19)	O12^iv—O8—O14	101.5289 (5)
C3—Ce3—O6	25.3362 (4)	O12^iv—O8—O14^v	101.5426 (5)
C3—Ce3—O16ⁱ	85.402 (5)	O12^iv—O8—O14ⁱ	101.5189 (5)
C3—Ce3—O15	75.1264 (4)	O12^iv—O8—O2ⁱ	111.008 (3)
C3—Ce3—O15ⁱⁱ	75.1320 (4)	O12^iv—O8—O16ⁱ	151.0849 (10)
C3—Ce3—O15^iv	75.1180 (4)	O12^iv—O8—O7	62.6684 (8)
C3—Ce3—O17	101.092 (8)	O12^iv—O8—O17	54.654 (4)
O10ⁱⁱ—Ce3—C3	84.690 (8)	O12^iv—O8—Ce3	97.2380 (4)
O10ⁱⁱ—Ce3—O5	106.178 (5)	O12^iv—O8—Ce2	50.158 (2)
O10ⁱⁱ—Ce3—O2ⁱ	119.289 (3)	O12^iv—O8—O7^xii	140.302 (3)
O10ⁱⁱ—Ce3—O8	112.721 (6)	O12^iv—O8—O8^xi	90.1610 (1)
O10ⁱⁱ—Ce3—O9	46.9082 (7)	O12^iv—O8—C4	117.207 (4)
O10ⁱⁱ—Ce3—O10	103.689 (5)	O9—O8—O12^iv	105.7773 (3)
O10ⁱⁱ—Ce3—O6	61.182 (8)	O9—O8—O14	151.1353 (5)
O10ⁱⁱ—Ce3—O16ⁱ	60.0063 (11)	O9—O8—O14^v	151.1187 (5)
O10ⁱⁱ—Ce3—O15	62.8915 (17)	O9—O8—O14ⁱ	151.1414 (5)
O10ⁱⁱ—Ce3—O15ⁱⁱ	62.9060 (17)	O9—O8—O2ⁱ	99.973 (5)
O10ⁱⁱ—Ce3—O15^iv	62.8812 (17)	O9—O8—O16ⁱ	57.150 (3)
O10ⁱⁱ—Ce3—O17	172.0527 (4)	O9—O8—O7	135.531 (7)
O2—C1—O2^vi	124.551 (8)	O9—O8—O17	96.757 (5)
O1—C1—O2	117.717 (4)	O9—O8—Ce3	50.931 (8)
O1—C1—O2^vi	117.717 (4)	O9—O8—Ce2	149.4959 (5)
O1^v—C1—O1	93.782	O9—O8—O7^xii	90.021 (3)
O1^v—C1—O2	87.6638 (3)	O9—O8—O8^xi	69.739 (3)
O1^v—C1—O2^vi	87.6638 (3)	O9—O8—C4	79.930 (5)
Ce2—C1—O1^v	103.3057 (18)	O10^xvii—O9—C5ⁱⁱ	28.379 (4)
Ce2—C1—O1	61.442 (4)	O10ⁱⁱ—O9—O10^xvii	56.759 (9)
Ce2—C1—O2	57.797 (9)	O10ⁱⁱ—O9—C5ⁱⁱ	28.379 (4)
Ce2—C1—O2^vi	168.9995 (14)	Ce3—O9—O10ⁱⁱ	80.410 (7)
Ce2^vi—C1—Ce2	117.627 (9)	Ce3—O9—O10^xvii	136.9046 (12)
Ce2^vi—C1—O1^v	103.3057 (18)	Ce3—O9—C5ⁱⁱ	108.687 (3)
Ce2^vi—C1—O1	61.442 (4)	Ce3^xi—O9—Ce3	141.262 (6)
Ce2^vi—C1—O2	168.9995 (14)	Ce3^xi—O9—O10ⁱⁱ	136.9046 (12)
Ce2^vi—C1—O2^vi	57.797 (9)	Ce3^xi—O9—O10^xvii	80.410 (7)
O4^vii—C1—Ce2^vi	51.6872 (9)	Ce3^xi—O9—C5ⁱⁱ	108.687 (3)
O4^vii—C1—Ce2	88.742 (6)	C5—O9—Ce3^xi	81.5567 (13)
O4^vii—C1—O1^v	154.808 (3)	C5—O9—Ce3	81.5567 (13)
O4^vii—C1—O1	72.4156 (4)	C5—O9—O10ⁱⁱ	125.5038 (16)
O4^vii—C1—O2	117.314 (2)	C5—O9—O10^xvii	125.5038 (16)
O4^vii—C1—O2^vi	80.799 (5)	C5—O9—C5ⁱⁱ	131.242
O4^v—C1—O4^vii	40.914 (7)	O10—O9—C5	26.913 (3)
O4^v—C1—Ce2^vi	88.742 (6)	O10—O9—Ce3^xi	99.576 (6)
O4^v—C1—Ce2	51.6872 (9)	O10—O9—Ce3	55.4960 (18)
O4^v—C1—O1^v	154.808 (3)	O10—O9—O10ⁱⁱ	119.135 (6)
O4^v—C1—O1	72.4156 (4)	O10—O9—O10^xvii	148.8802 (9)
O4^v—C1—O2	80.799 (5)	O10—O9—C5ⁱⁱ	139.6961 (18)
O4^v—C1—O2^vi	117.314 (2)	O10^xi—O9—O10	45.709 (7)
O4^viii—C2—O4ⁱⁱⁱ	121.864 (9)	O10^xi—O9—C5	26.913 (3)
O3—C2—O4^viii	119.033 (4)	O10^xi—O9—Ce3^xi	55.4960 (18)
O3—C2—O4ⁱⁱⁱ	119.033 (4)	O10^xi—O9—Ce3	99.576 (6)
O3^viii—C2—O3	107.518	O10^xi—O9—O10ⁱⁱ	148.8802 (9)
O3^viii—C2—O4^viii	82.8618 (10)	O10^xi—O9—O10^xvii	119.135 (6)
O3^viii—C2—O4ⁱⁱⁱ	82.8618 (10)	O10^xi—O9—C5ⁱⁱ	139.6961 (18)
O17^ix—C2—O3^viii	145.484 (5)	O16^xii—O9—O10^xi	106.661 (7)
O17^ix—C2—O3	71.8604 (11)	O16^xii—O9—O10	138.9005 (13)
O17^ix—C2—O4^viii	69.006 (7)	O16^xii—O9—C5	133.546 (4)
O17^ix—C2—O4ⁱⁱⁱ	128.713 (4)	O16^xii—O9—Ce3^xi	54.104 (5)
O17ⁱⁱ—C2—O17^ix	68.489 (10)	O16^xii—O9—Ce3	123.206 (5)
O17ⁱⁱ—C2—O3^viii	145.484 (5)	O16^xii—O9—O10ⁱⁱ	98.820 (5)
O17ⁱⁱ—C2—O3	71.8604 (11)	O16^xii—O9—O10^xvii	65.293 (4)
O17ⁱⁱ—C2—O4^viii	128.713 (4)	O16^xii—O9—C5ⁱⁱ	81.4009 (6)
O17ⁱⁱ—C2—O4ⁱⁱⁱ	69.006 (7)	O16ⁱ—O9—O16^xii	73.883 (10)
O1ⁱⁱ—C2—O17ⁱⁱ	62.5502 (17)	O16ⁱ—O9—O10^xi	138.9005 (13)
O1ⁱⁱ—C2—O17^ix	62.5502 (17)	O16ⁱ—O9—O10	106.661 (7)
O1ⁱⁱ—C2—O3^viii	128.500	O16ⁱ—O9—C5	133.546 (4)
O1ⁱⁱ—C2—O3	123.982	O16ⁱ—O9—Ce3^xi	123.206 (5)
O1ⁱⁱ—C2—O4^viii	73.128 (2)	O16ⁱ—O9—Ce3	54.104 (5)
O1ⁱⁱ—C2—O4ⁱⁱⁱ	73.128 (2)	O16ⁱ—O9—O10ⁱⁱ	65.293 (4)
Ce1^vi—C2—O1ⁱⁱ	108.2480 (18)	O16ⁱ—O9—O10^xvii	98.820 (5)
Ce1^vi—C2—O17ⁱⁱ	98.211 (7)	O16ⁱ—O9—C5ⁱⁱ	81.4009 (6)
Ce1^vi—C2—O17^ix	46.966 (3)	O8—O9—O16ⁱ	56.9140 (19)
Ce1^vi—C2—O3^viii	106.1066 (16)	O8—O9—O16^xii	82.551 (5)
Ce1^vi—C2—O3	47.507 (5)	O8—O9—O10^xi	82.133 (3)
Ce1^vi—C2—O4^viii	71.648 (9)	O8—O9—O10	66.0540 (18)
Ce1^vi—C2—O4ⁱⁱⁱ	165.2278 (9)	O8—O9—C5	86.5430 (1)
Ce1—C2—Ce1^vi	94.321 (10)	O8—O9—Ce3^xi	92.261 (6)
Ce1—C2—O1ⁱⁱ	108.2480 (18)	O8—O9—Ce3	52.1246 (4)
Ce1—C2—O17ⁱⁱ	46.966 (3)	O8—O9—O10ⁱⁱ	119.285 (6)
Ce1—C2—O17^ix	98.211 (7)	O8—O9—O10^xvii	144.9201 (8)
Ce1—C2—O3^viii	106.1066 (16)	O8—O9—C5ⁱⁱ	138.0472 (14)
Ce1—C2—O3	47.507 (5)	O8^xi—O9—O8	40.522 (7)
Ce1—C2—O4^viii	165.2278 (9)	O8^xi—O9—O16ⁱ	82.551 (5)
Ce1—C2—O4ⁱⁱⁱ	71.648 (9)	O8^xi—O9—O16^xii	56.9140 (19)
O6^vi—C3—O6	121.458 (9)	O8^xi—O9—O10^xi	66.0540 (18)
O5—C3—O6^vi	119.079 (4)	O8^xi—O9—O10	82.133 (3)
O5—C3—O6	119.079 (4)	O8^xi—O9—C5	86.5430 (1)
O5ⁱⁱ—C3—O5	91.626	O8^xi—O9—Ce3^xi	52.1246 (4)
O5ⁱⁱ—C3—O6^vi	86.1468 (5)	O8^xi—O9—Ce3	92.261 (6)
O5ⁱⁱ—C3—O6	86.1468 (5)	O8^xi—O9—O10ⁱⁱ	144.9201 (8)
Ce3^vi—C3—O5ⁱⁱ	102.6532 (17)	O8^xi—O9—O10^xvii	119.285 (6)
Ce3^vi—C3—O5	62.937 (4)	O8^xi—O9—C5ⁱⁱ	138.0472 (14)
Ce3^vi—C3—O6^vi	58.429 (9)	O10^xi—O10—C5	32.265 (5)
Ce3^vi—C3—O6	171.0512 (12)	O9^xiii—O10—O10^xi	61.621 (4)
Ce3—C3—Ce3^vi	120.063 (9)	O9^xiii—O10—C5	29.3553 (3)
Ce3—C3—O5ⁱⁱ	102.6532 (17)	Ce3—O10—O9^xiii	120.993 (3)
Ce3—C3—O5	62.937 (4)	Ce3—O10—O10^xi	120.637 (4)
Ce3—C3—O6^vi	171.0512 (12)	Ce3—O10—C5	126.545 (4)
Ce3—C3—O6	58.429 (9)	Ce1^iv—O10—Ce3	106.020 (8)
O2^x—C3—Ce3	91.113 (6)	Ce1^iv—O10—O9^xiii	119.025 (3)
O2^x—C3—Ce3^vi	51.9188 (12)	Ce1^iv—O10—O10^xi	123.673 (5)
O2^x—C3—O5ⁱⁱ	154.494 (3)	Ce1^iv—O10—C5	127.175 (4)
O2^x—C3—O5	75.4961 (4)	O17—O10—Ce1^iv	54.049 (4)
O2^x—C3—O6^vi	81.331 (5)	O17—O10—Ce3	54.618 (4)
O2^x—C3—O6	119.334 (2)	O17—O10—O9^xiii	160.4711 (8)
O2ⁱ—C3—O2^x	43.086 (7)	O17—O10—O10^xi	137.900 (5)
O2ⁱ—C3—Ce3	51.9188 (12)	O17—O10—C5	170.1587 (5)
O2ⁱ—C3—Ce3^vi	91.113 (6)	O9—O10—O17	104.600 (4)
O2ⁱ—C3—O5ⁱⁱ	154.494 (3)	O9—O10—Ce1^iv	158.1028 (1)
O2ⁱ—C3—O5	75.4961 (4)	O9—O10—Ce3	55.933 (8)
O2ⁱ—C3—O6^vi	119.334 (2)	O9—O10—O9^xiii	82.711 (3)
O2ⁱ—C3—O6	81.331 (5)	O9—O10—O10^xi	67.145 (4)
O8^xi—C4—O8	116.151 (9)	O9—O10—C5	72.875 (4)
O7^xii—C4—O8^xi	121.870 (5)	O16^xiv—O10—O9	149.1032 (1)
O7^xii—C4—O8	121.870 (5)	O16^xiv—O10—O17	101.503 (5)
O7—C4—O7^xii	106.735	O16^xiv—O10—Ce1^iv	51.8420 (4)
O7—C4—O8^xi	82.8679 (9)	O16^xiv—O10—Ce3	134.274 (6)
O7—C4—O8	82.8679 (9)	O16^xiv—O10—O9^xiii	67.438 (4)
O16^xii—C4—O7	144.656 (5)	O16^xiv—O10—O10^xi	103.098 (2)
O16^xii—C4—O7^xii	70.9352 (11)	O16^xiv—O10—C5	83.937 (5)
O16^xii—C4—O8^xi	70.508 (7)	O6^iv—O10—O16^xiv	56.4598 (10)
O16^xii—C4—O8	129.400 (4)	O6^iv—O10—O9	126.0291 (16)
O16ⁱ—C4—O16^xii	69.570 (10)	O6^iv—O10—O17	60.083 (8)
O16ⁱ—C4—O7	144.656 (5)	O6^iv—O10—Ce1^iv	51.498 (4)
O16ⁱ—C4—O7^xii	70.9352 (11)	O6^iv—O10—Ce3	78.283 (8)
O16ⁱ—C4—O8^xi	129.400 (4)	O6^iv—O10—O9^xiii	100.852 (7)
O16ⁱ—C4—O8	70.508 (7)	O6^iv—O10—O10^xi	158.488 (3)
O10—C5—O10^xi	115.469 (9)	O6^iv—O10—C5	129.262 (8)
O9^xiii—C5—O10	122.265 (5)	O15ⁱⁱ—O10—O6^iv	61.104 (5)
O9^xiii—C5—O10^xi	122.265 (5)	O15ⁱⁱ—O10—O16^xiv	95.315 (3)
O9—C5—O9^xiii	108.758	O15ⁱⁱ—O10—O9	68.361 (6)
O9—C5—O10	80.2118 (13)	O15ⁱⁱ—O10—O17	90.609 (8)
O9—C5—O10^xi	80.2118 (13)	O15ⁱⁱ—O10—Ce1^iv	112.460 (9)
O16^xiv—C5—O9	144.467 (5)	O15ⁱⁱ—O10—Ce3	52.658 (3)
O16^xiv—C5—O9^xiii	72.5069 (11)	O15ⁱⁱ—O10—O9^xiii	75.080 (6)
O16^xiv—C5—O10	70.667 (7)	O15ⁱⁱ—O10—O10^xi	120.220 (4)
O16^xiv—C5—O10^xi	130.492 (4)	O15ⁱⁱ—O10—C5	97.092 (8)
O16^xv—C5—O16^xiv	70.862 (10)	O11^xiii—O10—O15ⁱⁱ	159.6112 (2)
O16^xv—C5—O9	144.467 (5)	O11^xiii—O10—O6^iv	103.857 (5)
O16^xv—C5—O9^xiii	72.5069 (11)	O11^xiii—O10—O16^xiv	64.301 (3)
O16^xv—C5—O10	130.492 (4)	O11^xiii—O10—O9	129.560 (6)
O16^xv—C5—O10^xi	70.667 (7)	O11^xiii—O10—O17	93.051 (5)
O11^xiii—C5—O16^xv	61.3519 (19)	O11^xiii—O10—Ce1^iv	55.465 (8)
O11^xiii—C5—O16^xiv	61.3519 (19)	O11^xiii—O10—Ce3	142.1697 (11)
O11^xiii—C5—O9	128.934	O11^xiii—O10—O9^xiii	96.025 (4)
O11^xiii—C5—O9^xiii	122.309	O11^xiii—O10—O10^xi	68.259 (4)
O11^xiii—C5—O10	73.333 (2)	O11^xiii—O10—C5	81.854 (5)
O11^xiii—C5—O10^xi	73.333 (2)	O15^iv—O10—O11^xiii	159.6293 (2)
O12—C6—O12^xi	122.755 (9)	O15^iv—O10—O15ⁱⁱ	0.0183 (1)
O11—C6—O12	118.579 (4)	O15^iv—O10—O6^iv	61.119 (5)
O11—C6—O12^xi	118.579 (4)	O15^iv—O10—O16^xiv	95.333 (3)
O11^xvi—C6—O11	94.940	O15^iv—O10—O9	68.343 (6)
O11^xvi—C6—O12	89.0925 (1)	O15^iv—O10—O17	90.608 (8)
O11^xvi—C6—O12^xi	89.0925 (1)	O15^iv—O10—Ce1^iv	112.474 (9)
Ce1—C6—O11^xvi	102.3527 (17)	O15^iv—O10—Ce3	52.646 (3)
Ce1—C6—O11	63.163 (4)	O15^iv—O10—O9^xiii	75.084 (6)
Ce1—C6—O12	56.191 (8)	O15^iv—O10—O10^xi	120.211 (4)
Ce1—C6—O12^xi	168.3507 (16)	O15^iv—O10—C5	97.090 (8)
Ce1^xi—C6—Ce1	122.047 (9)	O15—O10—O15^iv	0.0236 (1)
Ce1^xi—C6—O11^xvi	102.3527 (17)	O15—O10—O11^xiii	159.6080 (2)
Ce1^xi—C6—O11	63.163 (4)	O15—O10—O15ⁱⁱ	0.0137 (1)
Ce1^xi—C6—O12	168.3507 (16)	O15—O10—O6^iv	61.112 (5)
Ce1^xi—C6—O12^xi	56.191 (8)	O15—O10—O16^xiv	95.311 (3)
O10ⁱⁱ—C6—Ce1^xi	91.202 (6)	O15—O10—O9	68.358 (6)
O10ⁱⁱ—C6—Ce1	52.9355 (11)	O15—O10—O17	90.622 (8)
O10ⁱⁱ—C6—O11^xvi	155.149 (3)	O15—O10—Ce1^iv	112.468 (9)
O10ⁱⁱ—C6—O11	72.5484 (4)	O15—O10—Ce3	52.669 (3)
O10ⁱⁱ—C6—O12	78.933 (5)	O15—O10—O9^xiii	75.066 (6)
O10ⁱⁱ—C6—O12^xi	115.712 (3)	O15—O10—O10^xi	120.208 (4)
O10^xvii—C6—O10ⁱⁱ	41.766 (7)	O15—O10—C5	97.078 (8)
O10^xvii—C6—Ce1^xi	52.9355 (11)	C6^xiii—O10—O15	169.1399 (8)
O10^xvii—C6—Ce1	91.202 (6)	C6^xiii—O10—O15^iv	169.1253 (8)
O10^xvii—C6—O11^xvi	155.149 (3)	C6^xiii—O10—O11^xiii	25.0167 (6)
O10^xvii—C6—O11	72.5484 (4)	C6^xiii—O10—O15ⁱⁱ	169.1263 (8)
O10^xvii—C6—O12	115.712 (3)	C6^xiii—O10—O6^iv	112.620 (3)
O10^xvii—C6—O12^xi	78.933 (5)	C6^xiii—O10—O16^xiv	87.3475 (17)
O2^vi—O1—C1	30.327 (4)	C6^xiii—O10—O9	113.740 (4)
O2—O1—O2^vi	60.651 (9)	C6^xiii—O10—O17	78.525 (7)
O2—O1—C1	30.327 (4)	C6^xiii—O10—Ce1^iv	61.314 (7)
Ce2^vi—O1—O2	121.647 (4)	C6^xiii—O10—Ce3	118.783 (2)
Ce2^vi—O1—O2^vi	62.730 (5)	C6^xiii—O10—O9^xiii	115.569 (6)
Ce2^vi—O1—C1	92.1206 (4)	C6^xiii—O10—O10^xi	69.117 (3)
Ce2—O1—Ce2^vi	153.468 (5)	C6^xiii—O10—C5	93.669 (7)
Ce2—O1—O2	62.730 (5)	O12^iv—O10—C6^xiii	23.456 (3)
Ce2—O1—O2^vi	121.647 (4)	O12^iv—O10—O15	145.687 (4)
Ce2—O1—C1	92.1206 (4)	O12^iv—O10—O15^iv	145.672 (4)
C1^x—O1—Ce2	95.4609 (9)	O12^iv—O10—O11^xiii	42.6975 (15)
C1^x—O1—Ce2^vi	95.4609 (9)	O12^iv—O10—O15ⁱⁱ	145.673 (4)
C1^x—O1—O2	135.579 (3)	O12^iv—O10—O6^iv	97.0249 (11)
C1^x—O1—O2^vi	135.579 (3)	O12^iv—O10—O16^xiv	92.6673 (1)
C1^x—O1—C1	146.218	O12^iv—O10—O9	115.8011 (7)
O14ⁱ—O1—C1^x	67.955 (3)	O12^iv—O10—O17	55.071 (4)
O14ⁱ—O1—Ce2	52.001 (7)	O12^iv—O10—Ce1^iv	50.441 (3)
O14ⁱ—O1—Ce2^vi	153.874 (3)	O12^iv—O10—Ce3	99.5132 (5)
O14ⁱ—O1—O2	68.340 (5)	O12^iv—O10—O9^xiii	138.143 (3)
O14ⁱ—O1—O2^vi	114.584 (5)	O12^iv—O10—O10^xi	90.0725 (1)
O14ⁱ—O1—C1	91.7983 (2)	O12^iv—O10—C5	116.952 (4)
O14^x—O1—O14ⁱ	102.062 (10)	Ce3^iv—O10—O12^iv	137.0700 (19)
O14^x—O1—C1^x	67.955 (3)	Ce3^iv—O10—C6^xiii	136.3159 (12)
O14^x—O1—Ce2	153.874 (3)	Ce3^iv—O10—O15	47.6063 (18)
O14^x—O1—Ce2^vi	52.001 (7)	Ce3^iv—O10—O15^iv	47.6294 (18)
O14^x—O1—O2	114.584 (5)	Ce3^iv—O10—O11^xiii	112.434 (2)
O14^x—O1—O2^vi	68.340 (5)	Ce3^iv—O10—O15ⁱⁱ	47.6125 (18)
O14^x—O1—C1	91.7983 (2)	Ce3^iv—O10—O6^iv	48.7979 (11)
O14—O1—O14^x	102.046 (10)	Ce3^iv—O10—O16^xiv	48.9878 (6)
O14—O1—O14ⁱ	0.0201 (1)	Ce3^iv—O10—O9	106.396 (2)
O14—O1—C1^x	67.958 (2)	Ce3^iv—O10—O17	107.820 (9)
O14—O1—Ce2	52.017 (7)	Ce3^iv—O10—Ce1^iv	86.992 (4)
O14—O1—Ce2^vi	153.860 (3)	Ce3^iv—O10—Ce3	97.432 (5)
O14—O1—O2	68.334 (5)	Ce3^iv—O10—O9^xiii	52.682 (8)
O14—O1—O2^vi	114.567 (5)	Ce3^iv—O10—O10^xi	114.135 (4)
O14—O1—C1	91.7863 (2)	Ce3^iv—O10—C5	81.956 (8)
O14^vi—O1—O14	102.030 (10)	O12^xi—O11—C6	29.933 (4)
O14^vi—O1—O14^x	0.0201 (1)	O12—O11—O12^xi	59.839 (9)
O14^vi—O1—O14ⁱ	102.046 (10)	O12—O11—C6	29.933 (4)
O14^vi—O1—C1^x	67.958 (2)	Ce1—O11—O12	61.054 (5)
O14^vi—O1—Ce2	153.860 (3)	Ce1—O11—O12^xi	119.604 (4)
O14^vi—O1—Ce2^vi	52.017 (7)	Ce1—O11—C6	90.5190 (1)
O14^vi—O1—O2	114.567 (5)	Ce1^xi—O11—Ce1	157.263 (4)
O14^vi—O1—O2^vi	68.334 (5)	Ce1^xi—O11—O12	119.604 (4)
O14^vi—O1—C1	91.7863 (2)	Ce1^xi—O11—O12^xi	61.054 (5)
O14^v—O1—O14^vi	102.030 (10)	Ce1^xi—O11—C6	90.5190 (1)
O14^v—O1—O14	0.0237 (1)	O13^xvi—O11—Ce1^xi	52.168 (7)
O14^v—O1—O14^x	102.045 (10)	O13^xvi—O11—Ce1	150.491 (3)
O14^v—O1—O14ⁱ	0.0197 (1)	O13^xvi—O11—O12	113.974 (5)
O14^v—O1—C1^x	67.937 (3)	O13^xvi—O11—O12^xi	69.605 (5)
O14^v—O1—Ce2	52.016 (7)	O13^xvi—O11—C6	91.2868 (1)
O14^v—O1—Ce2^vi	153.856 (3)	O13—O11—O13^xvi	98.341 (10)
O14^v—O1—O2	68.357 (5)	O13—O11—Ce1^xi	150.491 (3)
O14^v—O1—O2^vi	114.589 (5)	O13—O11—Ce1	52.168 (7)
O14^v—O1—C1	91.8100 (2)	O13—O11—O12	69.605 (5)
O14^vii—O1—O14^v	102.029 (10)	O13—O11—O12^xi	113.974 (5)
O14^vii—O1—O14^vi	0.0237 (1)	O13—O11—C6	91.2868 (1)
O14^vii—O1—O14	102.030 (10)	C6^xix—O11—O13	66.882 (2)
O14^vii—O1—O14^x	0.0197 (1)	C6^xix—O11—O13^xvi	66.882 (2)
O14^vii—O1—O14ⁱ	102.045 (10)	C6^xix—O11—Ce1^xi	96.0472 (10)
O14^vii—O1—C1^x	67.937 (3)	C6^xix—O11—Ce1	96.0472 (10)
O14^vii—O1—Ce2	153.856 (3)	C6^xix—O11—O12	135.946 (3)
O14^vii—O1—Ce2^vi	52.016 (7)	C6^xix—O11—O12^xi	135.946 (3)
O14^vii—O1—O2	114.589 (5)	C6^xix—O11—C6	145.060
O14^vii—O1—O2^vi	68.357 (5)	O10ⁱⁱ—O11—C6^xix	129.3850 (12)
O14^vii—O1—C1	91.8100 (2)	O10ⁱⁱ—O11—O13	108.875 (9)
O4^vii—O1—O14^vii	107.531 (8)	O10ⁱⁱ—O11—O13^xvi	152.1346 (15)
O4^vii—O1—O14^v	150.1528 (15)	O10ⁱⁱ—O11—Ce1^xi	100.561 (5)
O4^vii—O1—O14^vi	107.529 (8)	O10ⁱⁱ—O11—Ce1	57.1114 (16)
O4^vii—O1—O14	150.1488 (15)	O10ⁱⁱ—O11—O12	71.812 (3)
O4^vii—O1—O14^x	107.514 (8)	O10ⁱⁱ—O11—O12^xi	93.289 (4)
O4^vii—O1—O14ⁱ	150.1351 (15)	O10ⁱⁱ—O11—C6	82.4348 (2)
O4^vii—O1—C1^x	127.6082 (10)	O10^xvii—O11—O10ⁱⁱ	43.482 (7)
O4^vii—O1—Ce2	98.596 (6)	O10^xvii—O11—C6^xix	129.3850 (12)
O4^vii—O1—Ce2^vi	55.9841 (13)	O10^xvii—O11—O13	152.1346 (15)
O4^vii—O1—O2	95.108 (3)	O10^xvii—O11—O13^xvi	108.875 (9)
O4^vii—O1—O2^vi	73.818 (3)	O10^xvii—O11—Ce1^xi	57.1114 (16)
O4^vii—O1—C1	83.3367 (2)	O10^xvii—O11—Ce1	100.561 (5)
O4^v—O1—O4^vii	42.712 (7)	O10^xvii—O11—O12	93.289 (4)
O4^v—O1—O14^vii	150.1528 (15)	O10^xvii—O11—O12^xi	71.812 (3)
O4^v—O1—O14^v	107.531 (8)	O10^xvii—O11—C6	82.4348 (2)
O4^v—O1—O14^vi	150.1488 (15)	C5ⁱⁱ—O11—O10^xvii	24.812 (3)
O4^v—O1—O14	107.529 (8)	C5ⁱⁱ—O11—O10ⁱⁱ	24.812 (3)
O4^v—O1—O14^x	150.1351 (15)	C5ⁱⁱ—O11—C6^xix	120.828
O4^v—O1—O14ⁱ	107.514 (8)	C5ⁱⁱ—O11—O13	130.552 (5)
O4^v—O1—C1^x	127.6082 (10)	C5ⁱⁱ—O11—O13^xvi	130.552 (5)
O4^v—O1—Ce2	55.9841 (13)	C5ⁱⁱ—O11—Ce1^xi	78.635 (2)
O4^v—O1—Ce2^vi	98.596 (6)	C5ⁱⁱ—O11—Ce1	78.635 (2)
O4^v—O1—O2	73.818 (3)	C5ⁱⁱ—O11—O12	92.7345 (1)
O4^v—O1—O2^vi	95.108 (3)	C5ⁱⁱ—O11—O12^xi	92.7345 (1)
O4^v—O1—C1	83.3367 (2)	C5ⁱⁱ—O11—C6	94.111
O2ⁱ—O1—O4^v	107.621 (4)	O16ⁱ—O11—C5ⁱⁱ	58.493 (2)
O2ⁱ—O1—O4^vii	123.9665 (14)	O16ⁱ—O11—O10^xvii	81.981 (5)
O2ⁱ—O1—O14^vii	91.220 (5)	O16ⁱ—O11—O10ⁱⁱ	56.170 (2)
O2ⁱ—O1—O14^v	58.322 (2)	O16ⁱ—O11—C6^xix	73.6314 (10)
O2ⁱ—O1—O14^vi	91.240 (5)	O16ⁱ—O11—O13	82.489 (8)
O2ⁱ—O1—O14	58.346 (2)	O16ⁱ—O11—O13^xvi	136.186 (3)
O2ⁱ—O1—O14^x	91.238 (5)	O16ⁱ—O11—Ce1^xi	116.900 (6)
O2ⁱ—O1—O14ⁱ	58.335 (2)	O16ⁱ—O11—Ce1	49.316 (4)
O2ⁱ—O1—C1^x	23.375 (3)	O16ⁱ—O11—O12	107.334 (8)
O2ⁱ—O1—Ce2	72.952 (4)	O16ⁱ—O11—O12^xi	149.2911 (15)
O2ⁱ—O1—Ce2^vi	113.019 (3)	O16ⁱ—O11—C6	132.523 (3)
O2ⁱ—O1—O2	124.564 (7)	O16^xii—O11—O16ⁱ	68.556 (10)
O2ⁱ—O1—O2^vi	157.2598 (2)	O16^xii—O11—C5ⁱⁱ	58.493 (2)
O2ⁱ—O1—C1	149.913 (2)	O16^xii—O11—O10^xvii	56.170 (2)
O2^x—O1—O2ⁱ	41.157 (7)	O16^xii—O11—O10ⁱⁱ	81.981 (5)
O2^x—O1—O4^v	123.9665 (14)	O16^xii—O11—C6^xix	73.6314 (10)
O2^x—O1—O4^vii	107.621 (4)	O16^xii—O11—O13	136.186 (3)
O2^x—O1—O14^vii	58.322 (2)	O16^xii—O11—O13^xvi	82.489 (8)
O2^x—O1—O14^v	91.220 (5)	O16^xii—O11—Ce1^xi	49.316 (4)
O2^x—O1—O14^vi	58.346 (2)	O16^xii—O11—Ce1	116.900 (6)
O2^x—O1—O14	91.240 (5)	O16^xii—O11—O12	149.2911 (15)
O2^x—O1—O14^x	58.335 (2)	O16^xii—O11—O12^xi	107.334 (8)
O2^x—O1—O14ⁱ	91.238 (5)	O16^xii—O11—C6	132.523 (3)
O2^x—O1—C1^x	23.375 (3)	O12^xi—O12—C6	28.623 (4)
O2^x—O1—Ce2	113.019 (3)	O11—O12—O12^xi	60.081 (4)
O2^x—O1—Ce2^vi	72.952 (4)	O11—O12—C6	31.4882 (1)
O2^x—O1—O2	157.2598 (2)	Ce2ⁱⁱ—O12—O11	169.4311 (4)
O2^x—O1—O2^vi	124.564 (7)	Ce2ⁱⁱ—O12—O12^xi	122.020 (5)
O2^x—O1—C1	149.913 (2)	Ce2ⁱⁱ—O12—C6	149.9301 (4)
C2^xviii—O1—O2^x	108.2704 (4)	Ce1—O12—Ce2ⁱⁱ	106.713 (9)
C2^xviii—O1—O2ⁱ	108.2704 (4)	Ce1—O12—O11	68.122 (9)
C2^xviii—O1—O4^v	23.497 (3)	Ce1—O12—O12^xi	126.712 (5)
C2^xviii—O1—O4^vii	23.497 (3)	Ce1—O12—C6	99.084 (9)
C2^xviii—O1—O14^vii	128.752 (5)	O17ⁱⁱ—O12—Ce1	56.648 (5)
C2^xviii—O1—O14^v	128.752 (5)	O17ⁱⁱ—O12—Ce2ⁱⁱ	56.230 (4)
C2^xviii—O1—O14^vi	128.754 (5)	O17ⁱⁱ—O12—O11	114.676 (5)
C2^xviii—O1—O14	128.754 (5)	O17ⁱⁱ—O12—O12^xi	138.845 (5)
C2^xviii—O1—O14^x	128.737 (5)	O17ⁱⁱ—O12—C6	134.071 (6)
C2^xviii—O1—O14ⁱ	128.737 (5)	O16ⁱⁱ—O12—O17ⁱⁱ	104.185 (5)
C2^xviii—O1—C1^x	120.900	O16ⁱⁱ—O12—Ce1	122.770 (6)
C2^xviii—O1—Ce2	76.818 (2)	O16ⁱⁱ—O12—Ce2ⁱⁱ	55.1297 (6)
C2^xviii—O1—Ce2^vi	76.818 (2)	O16ⁱⁱ—O12—O11	135.4307 (2)
C2^xviii—O1—O2	92.8170 (1)	O16ⁱⁱ—O12—O12^xi	103.204 (2)
C2^xviii—O1—O2^vi	92.8170 (1)	O16ⁱⁱ—O12—C6	121.2702 (3)
C2^xviii—O1—C1	92.881	O4ⁱⁱⁱ—O12—O16ⁱⁱ	57.7870 (8)
O1—O2—C1	31.9553 (2)	O4ⁱⁱⁱ—O12—O17ⁱⁱ	61.699 (8)
O2^vi—O2—O1	59.675 (4)	O4ⁱⁱⁱ—O12—Ce1	66.870 (7)
O2^vi—O2—C1	27.724 (4)	O4ⁱⁱⁱ—O12—Ce2ⁱⁱ	58.303 (5)
Ce2—O2—O2^vi	124.181 (5)	O4ⁱⁱⁱ—O12—O11	124.264 (4)
Ce2—O2—O1	66.329 (9)	O4ⁱⁱⁱ—O12—O12^xi	158.275 (4)
Ce2—O2—C1	97.265 (9)	O4ⁱⁱⁱ—O12—C6	149.808 (4)
Ce3^v—O2—Ce2	106.246 (8)	O13—O12—O4ⁱⁱⁱ	60.189 (2)
Ce3^v—O2—O2^vi	123.610 (5)	O13—O12—O16ⁱⁱ	86.4014 (16)
Ce3^v—O2—O1	167.1937 (5)	O13—O12—O17ⁱⁱ	99.791 (7)
Ce3^v—O2—C1	149.7004 (8)	O13—O12—Ce1	52.4738 (19)
O16—O2—Ce3^v	55.508 (4)	O13—O12—Ce2ⁱⁱ	118.036 (7)
O16—O2—Ce2	55.836 (4)	O13—O12—O11	66.837 (6)
O16—O2—O2^vi	138.329 (5)	O13—O12—O12^xi	112.055 (4)
O16—O2—O1	113.036 (5)	O13—O12—C6	89.869 (7)
O16—O2—C1	131.621 (6)	O10ⁱⁱ—O12—O13	104.0590 (4)
O17^v—O2—O16	103.383 (5)	O10ⁱⁱ—O12—O4ⁱⁱⁱ	111.419 (3)
O17^v—O2—Ce3^v	53.2950 (5)	O10ⁱⁱ—O12—O16ⁱⁱ	158.9318 (14)
O17^v—O2—Ce2	127.563 (6)	O10ⁱⁱ—O12—O17ⁱⁱ	56.466 (4)
O17^v—O2—O2^vi	103.246 (2)	O10ⁱⁱ—O12—Ce1	56.451 (2)
O17^v—O2—O1	139.5006 (1)	O10ⁱⁱ—O12—Ce2ⁱⁱ	103.9408 (7)
O17^v—O2—C1	123.6860 (7)	O10ⁱⁱ—O12—O11	65.4908 (11)
O8^v—O2—O17^v	57.5622 (8)	O10ⁱⁱ—O12—O12^xi	89.9275 (1)
O8^v—O2—O16	61.433 (8)	O10ⁱⁱ—O12—C6	77.6108 (17)
O8^v—O2—Ce3^v	55.117 (4)	O7ⁱⁱ—O12—O10ⁱⁱ	113.4510 (6)
O8^v—O2—Ce2	71.233 (7)	O7ⁱⁱ—O12—O13	142.4895 (9)
O8^v—O2—O2^vi	158.555 (3)	O7ⁱⁱ—O12—O4ⁱⁱⁱ	103.794 (4)
O8^v—O2—O1	127.228 (3)	O7ⁱⁱ—O12—O16ⁱⁱ	58.174 (3)
O8^v—O2—C1	154.027 (4)	O7ⁱⁱ—O12—O17ⁱⁱ	100.570 (4)
O5^v—O2—O8^v	107.485 (4)	O7ⁱⁱ—O12—Ce1	157.2170 (6)
O5^v—O2—O17^v	66.435 (3)	O7ⁱⁱ—O12—Ce2ⁱⁱ	53.262 (8)
O5^v—O2—O16	94.342 (5)	O7ⁱⁱ—O12—O11	129.395 (8)
O5^v—O2—Ce3^v	55.494 (8)	O7ⁱⁱ—O12—O12^xi	69.418 (3)
O5^v—O2—Ce2	147.6959 (6)	O7ⁱⁱ—O12—C6	98.034 (8)
O5^v—O2—O2^vi	68.193 (4)	O8ⁱⁱ—O12—O7ⁱⁱ	54.5805 (9)
O5^v—O2—O1	125.173 (8)	O8ⁱⁱ—O12—O10ⁱⁱ	63.3586 (1)
O5^v—O2—C1	94.629 (8)	O8ⁱⁱ—O12—O13	155.415 (3)
O14ⁱ—O2—O5^v	155.7434 (6)	O8ⁱⁱ—O12—O4ⁱⁱⁱ	103.053 (2)
O14ⁱ—O2—O8^v	60.571 (3)	O8ⁱⁱ—O12—O16ⁱⁱ	99.7859 (1)
O14ⁱ—O2—O17^v	90.0405 (19)	O8ⁱⁱ—O12—O17ⁱⁱ	55.641 (4)
O14ⁱ—O2—O16	96.969 (7)	O8ⁱⁱ—O12—Ce1	105.7797 (10)
O14ⁱ—O2—Ce3^v	115.590 (8)	O8ⁱⁱ—O12—Ce2ⁱⁱ	51.862 (2)
O14ⁱ—O2—Ce2	52.716 (2)	O8ⁱⁱ—O12—O11	119.5629 (15)
O14ⁱ—O2—O2^vi	114.450 (4)	O8ⁱⁱ—O12—O12^xi	89.8390 (1)
O14ⁱ—O2—O1	69.086 (6)	O8ⁱⁱ—O12—C6	106.568 (2)
O14ⁱ—O2—C1	93.773 (7)	Ce1—O13—Ce1^xix	117.8920 (7)
O14—O2—O14ⁱ	0.0232 (1)	Ce1ⁱⁱⁱ—O13—Ce1	117.8920 (7)
O14—O2—O5^v	155.7204 (6)	Ce1ⁱⁱⁱ—O13—Ce1^xix	117.8920 (7)
O14—O2—O8^v	60.564 (3)	O11^xvi—O13—Ce1ⁱⁱⁱ	57.601 (7)
O14—O2—O17^v	90.0188 (19)	O11^xvi—O13—Ce1	116.3437 (5)
O14—O2—O16	96.982 (7)	O11^xvi—O13—Ce1^xix	115.1258 (3)
O14—O2—Ce3^v	115.581 (8)	O11^xix—O13—O11^xvi	68.973 (8)
O14—O2—Ce2	52.738 (2)	O11^xix—O13—Ce1ⁱⁱⁱ	116.3437 (5)
O14—O2—O2^vi	114.447 (4)	O11^xix—O13—Ce1	115.1258 (3)
O14—O2—O1	69.099 (6)	O11^xix—O13—Ce1^xix	57.601 (7)
O14—O2—C1	93.779 (7)	O11—O13—O11^xix	68.973 (8)
O14^v—O2—O14	0.0181 (1)	O11—O13—O11^xvi	68.973 (8)
O14^v—O2—O14ⁱ	0.0115 (1)	O11—O13—Ce1ⁱⁱⁱ	115.1258 (3)
O14^v—O2—O5^v	155.7371 (6)	O11—O13—Ce1	57.601 (7)
O14^v—O2—O8^v	60.577 (3)	O11—O13—Ce1^xix	116.3437 (5)
O14^v—O2—O17^v	90.0367 (19)	O4—O13—O11	94.279 (8)
O14^v—O2—O16	96.980 (7)	O4—O13—O11^xix	100.127 (7)
O14^v—O2—Ce3^v	115.595 (8)	O4—O13—O11^xvi	162.2359 (4)
O14^v—O2—Ce2	52.726 (2)	O4—O13—Ce1ⁱⁱⁱ	139.026 (6)
O14^v—O2—O2^vi	114.440 (4)	O4—O13—Ce1	54.3485 (3)
O14^v—O2—O1	69.083 (6)	O4—O13—Ce1^xix	66.1074 (4)
O14^v—O2—C1	93.767 (7)	O4ⁱⁱⁱ—O13—O4	94.524 (6)
C3^v—O2—O14^v	176.6114 (3)	O4ⁱⁱⁱ—O13—O11	100.127 (7)
C3^v—O2—O14	176.6141 (3)	O4ⁱⁱⁱ—O13—O11^xix	162.2359 (4)
C3^v—O2—O14ⁱ	176.6000 (3)	O4ⁱⁱⁱ—O13—O11^xvi	94.279 (8)
C3^v—O2—O5^v	26.1478 (6)	O4ⁱⁱⁱ—O13—Ce1ⁱⁱⁱ	54.3485 (3)
C3^v—O2—O8^v	117.446 (3)	O4ⁱⁱⁱ—O13—Ce1	66.1074 (4)
C3^v—O2—O17^v	90.9548 (17)	O4ⁱⁱⁱ—O13—Ce1^xix	139.026 (6)
C3^v—O2—O16	79.638 (7)	O4^xix—O13—O4ⁱⁱⁱ	94.524 (6)
C3^v—O2—Ce3^v	62.671 (7)	O4^xix—O13—O4	94.524 (6)
C3^v—O2—Ce2	124.409 (2)	O4^xix—O13—O11	162.2359 (4)
C3^v—O2—O2^vi	68.457 (3)	O4^xix—O13—O11^xix	94.279 (8)
C3^v—O2—O1	111.958 (6)	O4^xix—O13—O11^xvi	100.127 (7)
C3^v—O2—C1	88.379 (6)	O4^xix—O13—Ce1ⁱⁱⁱ	66.1074 (4)
O6^v—O2—C3^v	23.937 (3)	O4^xix—O13—Ce1	139.026 (6)
O6^v—O2—O14^v	152.681 (3)	O4^xix—O13—Ce1^xix	54.3485 (3)
O6^v—O2—O14	152.682 (3)	O12ⁱⁱⁱ—O13—O4^xix	58.248 (7)
O6^v—O2—O14ⁱ	152.669 (3)	O12ⁱⁱⁱ—O13—O4ⁱⁱⁱ	107.398 (3)
O6^v—O2—O5^v	43.7297 (15)	O12ⁱⁱⁱ—O13—O4	145.4989 (9)
O6^v—O2—O8^v	100.9468 (17)	O12ⁱⁱⁱ—O13—O11	107.246 (8)
O6^v—O2—O17^v	96.2887 (1)	O12ⁱⁱⁱ—O13—O11^xix	64.902 (3)
O6^v—O2—O16	55.701 (4)	O12ⁱⁱⁱ—O13—O11^xvi	43.5586 (8)
O6^v—O2—Ce3^v	51.752 (2)	O12ⁱⁱⁱ—O13—Ce1ⁱⁱⁱ	53.081 (3)
O6^v—O2—Ce2	104.0585 (8)	O12ⁱⁱⁱ—O13—Ce1	159.6875 (12)
O6^v—O2—O2^vi	89.9816 (1)	O12ⁱⁱⁱ—O13—Ce1^xix	80.0898 (14)
O6^v—O2—O1	118.3820 (14)	O12—O13—O12ⁱⁱⁱ	106.768 (4)
O6^v—O2—C1	104.485 (2)	O12—O13—O4^xix	145.4989 (9)
O1^v—O2—O6^v	147.086 (2)	O12—O13—O4ⁱⁱⁱ	58.248 (7)
O1^v—O2—C3^v	124.506 (5)	O12—O13—O4	107.398 (3)
O1^v—O2—O14^v	58.808 (5)	O12—O13—O11	43.5586 (8)
O1^v—O2—O14	58.802 (5)	O12—O13—O11^xix	107.246 (8)
O1^v—O2—O14ⁱ	58.819 (5)	O12—O13—O11^xvi	64.902 (3)
O1^v—O2—O5^v	103.564 (3)	O12—O13—Ce1ⁱⁱⁱ	80.0898 (14)
O1^v—O2—O8^v	92.206 (6)	O12—O13—Ce1	53.081 (3)
O1^v—O2—O17^v	65.672 (3)	O12—O13—Ce1^xix	159.6875 (12)
O1^v—O2—O16	151.8658 (16)	O12^xix—O13—O12	106.768 (4)
O1^v—O2—Ce3^v	118.936 (2)	O12^xix—O13—O12ⁱⁱⁱ	106.768 (4)
O1^v—O2—Ce2	108.736 (3)	O12^xix—O13—O4^xix	107.398 (3)
O1^v—O2—O2^vi	69.422 (3)	O12^xix—O13—O4ⁱⁱⁱ	145.4989 (9)
O1^v—O2—O1	73.838 (3)	O12^xix—O13—O4	58.248 (7)
O1^v—O2—C1	68.961 (3)	O12^xix—O13—O11	64.902 (3)
O4ⁱⁱⁱ—O3—C2	30.207 (4)	O12^xix—O13—O11^xix	43.5586 (8)
O4^viii—O3—O4ⁱⁱⁱ	60.392 (9)	O12^xix—O13—O11^xvi	107.246 (8)
O4^viii—O3—C2	30.207 (4)	O12^xix—O13—Ce1ⁱⁱⁱ	159.6875 (12)
Ce1^vi—O3—O4^viii	79.987 (8)	O12^xix—O13—Ce1	80.0898 (14)
Ce1^vi—O3—O4ⁱⁱⁱ	139.9486 (12)	O12^xix—O13—Ce1^xix	53.081 (3)
Ce1^vi—O3—C2	110.107 (3)	Ce2^v—O14—O14ⁱ	149.0662 (1)
Ce1—O3—Ce1^vi	138.078 (7)	Ce2ⁱ—O14—Ce2^v	119.5893 (1)
Ce1—O3—O4^viii	139.9486 (12)	Ce2—O14—Ce2^v	119.5887 (1)
Ce1—O3—O4ⁱⁱⁱ	79.987 (8)	O8^v—O14—Ce2	70.3681 (2)
Ce1—O3—C2	110.107 (3)	O8^v—O14—Ce2ⁱ	145.250 (5)
C2^xix—O3—Ce1	80.8397 (14)	O8^v—O14—Ce2^v	54.3309 (10)
C2^xix—O3—Ce1^vi	80.8397 (14)	O8ⁱ—O14—O8^v	97.472 (6)
C2^xix—O3—O4^viii	126.3958 (19)	O8ⁱ—O14—Ce2	145.237 (5)
C2^xix—O3—O4ⁱⁱⁱ	126.3958 (19)	O8ⁱ—O14—Ce2ⁱ	54.3210 (10)
C2^xix—O3—C2	132.482	O8ⁱ—O14—Ce2^v	70.3783 (2)
O4^vi—O3—C2^xix	25.597 (3)	O8ⁱ—O14—O14^v	82.3918 (3)
O4^vi—O3—Ce1	98.412 (6)	O8—O14—O8ⁱ	97.450 (6)
O4^vi—O3—Ce1^vi	55.6339 (17)	O8—O14—O8^v	97.454 (6)
O4^vi—O3—O4^viii	118.180 (7)	O8—O14—Ce2	54.3085 (10)
O4^vi—O3—O4ⁱⁱⁱ	148.7666 (8)	O8—O14—Ce2ⁱ	70.3504 (2)
O4^vi—O3—C2	139.4551 (17)	O8—O14—Ce2^v	145.252 (5)
O4—O3—O4^vi	44.738 (7)	O8—O14—O14^v	47.405 (2)
O4—O3—C2^xix	25.597 (3)	O2^v—O14—O8	146.7904 (11)
O4—O3—Ce1	55.6339 (17)	O2^v—O14—O8ⁱ	58.571 (8)
O4—O3—Ce1^vi	98.412 (6)	O2^v—O14—O8^v	107.572 (3)
O4—O3—O4^viii	148.7666 (8)	O2^v—O14—Ce2	155.553 (3)
O4—O3—O4ⁱⁱⁱ	118.180 (7)	O2^v—O14—Ce2ⁱ	76.6885 (10)
O4—O3—C2	139.4551 (17)	O2^v—O14—Ce2^v	53.241 (2)
O17^ix—O3—O4	136.5832 (14)	O2^v—O14—O14^v	102.9520 (4)
O17^ix—O3—O4^vi	106.150 (6)	O2—O14—O2^v	104.086 (4)
O17^ix—O3—C2^xix	131.457 (3)	O2—O14—O8	107.538 (3)
O17^ix—O3—Ce1	120.450 (6)	O2—O14—O8ⁱ	146.8266 (11)
O17^ix—O3—Ce1^vi	53.628 (5)	O2—O14—O8^v	58.570 (8)
O17^ix—O3—O4^viii	66.568 (4)	O2—O14—Ce2	53.230 (2)
O17^ix—O3—O4ⁱⁱⁱ	101.227 (5)	O2—O14—Ce2ⁱ	155.527 (3)
O17^ix—O3—C2	83.9598 (4)	O2—O14—Ce2^v	76.6982 (10)
O17ⁱⁱ—O3—O17^ix	72.154 (10)	O2ⁱ—O14—O2	104.059 (4)
O17ⁱⁱ—O3—O4	106.150 (6)	O2ⁱ—O14—O2^v	104.066 (4)
O17ⁱⁱ—O3—O4^vi	136.5832 (14)	O2ⁱ—O14—O8	58.550 (8)
O17ⁱⁱ—O3—C2^xix	131.457 (3)	O2ⁱ—O14—O8ⁱ	107.539 (3)
O17ⁱⁱ—O3—Ce1	53.628 (5)	O2ⁱ—O14—O8^v	146.7850 (11)
O17ⁱⁱ—O3—Ce1^vi	120.450 (6)	O2ⁱ—O14—Ce2	76.6673 (10)
O17ⁱⁱ—O3—O4^viii	101.227 (5)	O2ⁱ—O14—Ce2ⁱ	53.218 (2)
O17ⁱⁱ—O3—O4ⁱⁱⁱ	66.568 (4)	O2ⁱ—O14—Ce2^v	155.551 (3)
O17ⁱⁱ—O3—C2	83.9598 (4)	O2ⁱ—O14—O14ⁱ	49.3076 (15)
O6^vi—O3—O17ⁱⁱ	81.261 (5)	O1^v—O14—O2ⁱ	103.153 (9)
O6^vi—O3—O17^ix	55.6851 (18)	O1^v—O14—O2	62.863 (3)
O6^vi—O3—O4	80.954 (3)	O1^v—O14—O2^v	42.5738 (11)
O6^vi—O3—O4^vi	64.9528 (17)	O1^v—O14—O8	158.1834 (5)
O6^vi—O3—C2^xix	83.6314 (1)	O1^v—O14—O8ⁱ	99.772 (7)
O6^vi—O3—Ce1	90.621 (7)	O1^v—O14—O8^v	93.491 (7)
O6^vi—O3—Ce1^vi	50.0433 (2)	O1^v—O14—Ce2	113.0616 (15)
O6^vi—O3—O4^viii	118.333 (6)	O1^v—O14—Ce2ⁱ	109.7061 (11)
O6^vi—O3—O4ⁱⁱⁱ	145.7234 (8)	O1^v—O14—Ce2^v	54.845 (6)
O6^vi—O3—C2	139.5517 (15)	O1^v—O14—O14ⁱ	123.783 (4)
O6—O3—O6^vi	40.933 (7)	O1—O14—O1^v	66.021 (8)
O6—O3—O17ⁱⁱ	55.6851 (18)	O1—O14—O2ⁱ	62.846 (3)
O6—O3—O17^ix	81.261 (5)	O1—O14—O2	42.5667 (11)
O6—O3—O4	64.9528 (17)	O1—O14—O2^v	103.163 (9)
O6—O3—O4^vi	80.954 (3)	O1—O14—O8	93.457 (7)
O6—O3—C2^xix	83.6314 (1)	O1—O14—O8ⁱ	158.2012 (5)
O6—O3—Ce1	50.0433 (2)	O1—O14—O8^v	99.761 (7)
O6—O3—Ce1^vi	90.621 (7)	O1—O14—Ce2	54.827 (6)
O6—O3—O4^viii	145.7234 (8)	O1—O14—Ce2ⁱ	113.0400 (15)
O6—O3—O4ⁱⁱⁱ	118.333 (6)	O1—O14—Ce2^v	109.7157 (11)
O6—O3—C2	139.5517 (15)	O1^x—O14—O1	66.012 (8)
O3^xix—O4—C2^xix	30.7598 (1)	O1^x—O14—O1^v	66.021 (8)
O4^vi—O4—O3^xix	59.804 (4)	O1^x—O14—O2ⁱ	42.5606 (11)
O4^vi—O4—C2^xix	29.068 (4)	O1^x—O14—O2	103.155 (9)
Ce1—O4—O4^vi	118.636 (4)	O1^x—O14—O2^v	62.858 (3)
Ce1—O4—O3^xix	121.577 (3)	O1^x—O14—O8	99.738 (7)
Ce1—O4—C2^xix	124.405 (3)	O1^x—O14—O8ⁱ	93.473 (7)
Ce2ⁱ—O4—Ce1	107.315 (7)	O1^x—O14—O8^v	158.2146 (5)
Ce2ⁱ—O4—O4^vi	121.820 (5)	O1^x—O14—Ce2	109.6839 (11)
Ce2ⁱ—O4—O3^xix	121.554 (3)	O1^x—O14—Ce2ⁱ	54.827 (6)
Ce2ⁱ—O4—C2^xix	128.183 (4)	O1^x—O14—Ce2^v	113.0717 (15)
O16ⁱ—O4—Ce2ⁱ	54.116 (4)	Ce3ⁱⁱ—O15—O15^iv	92.5393 (1)
O16ⁱ—O4—Ce1	54.511 (3)	Ce3^iv—O15—Ce3ⁱⁱ	119.2634 (3)
O16ⁱ—O4—O4^vi	138.003 (5)	Ce3—O15—Ce3^iv	119.2199 (3)
O16ⁱ—O4—O3^xix	162.1872 (6)	Ce3—O15—Ce3ⁱⁱ	119.2221 (3)
O16ⁱ—O4—C2^xix	166.9973 (8)	O5ⁱⁱ—O15—Ce3	112.6239 (11)
O3—O4—O16ⁱ	103.575 (4)	O5ⁱⁱ—O15—Ce3^iv	112.0623 (10)
O3—O4—Ce2ⁱ	156.3470 (4)	O5ⁱⁱ—O15—Ce3ⁱⁱ	56.343 (6)
O3—O4—Ce1	53.878 (7)	O5ⁱⁱ—O15—O15ⁱⁱ	123.878 (4)
O3—O4—O4^vi	67.631 (4)	O5^xviii—O15—O5ⁱⁱ	65.593 (8)
O3—O4—O3^xix	82.098 (3)	O5^xviii—O15—Ce3	112.0294 (10)
O3—O4—C2^xix	71.541 (4)	O5^xviii—O15—Ce3^iv	56.342 (6)
O17ⁱ—O4—O3	150.7229 (1)	O5^xviii—O15—Ce3ⁱⁱ	112.6562 (11)
O17ⁱ—O4—O16ⁱ	101.251 (5)	O5—O15—O5^xviii	65.585 (8)
O17ⁱ—O4—Ce2ⁱ	52.4576 (5)	O5—O15—O5ⁱⁱ	65.585 (8)
O17ⁱ—O4—Ce1	137.099 (6)	O5—O15—Ce3	56.324 (6)
O17ⁱ—O4—O4^vi	102.892 (2)	O5—O15—Ce3^iv	112.6328 (11)
O17ⁱ—O4—O3^xix	69.711 (4)	O5—O15—Ce3ⁱⁱ	112.0412 (10)
O17ⁱ—O4—C2^xix	87.123 (4)	O5—O15—O15^iv	56.102 (4)
O12^xix—O4—O17ⁱ	56.1243 (12)	O10^iv—O15—O5	157.9793 (4)
O12^xix—O4—O3	127.1113 (13)	O10^iv—O15—O5^xviii	93.171 (8)
O12^xix—O4—O16ⁱ	59.500 (8)	O10^iv—O15—O5ⁱⁱ	101.324 (6)
O12^xix—O4—Ce2ⁱ	52.425 (4)	O10^iv—O15—Ce3	143.657 (5)
O12^xix—O4—Ce1	81.312 (7)	O10^iv—O15—Ce3^iv	53.9975 (8)
O12^xix—O4—O4^vi	158.275 (4)	O10^iv—O15—Ce3ⁱⁱ	69.5063 (1)
O12^xix—O4—O3^xix	103.490 (7)	O10ⁱⁱ—O15—O10^iv	96.910 (6)
O12^xix—O4—C2^xix	133.190 (7)	O10ⁱⁱ—O15—O5	101.288 (6)
O13—O4—O12^xix	61.563 (5)	O10ⁱⁱ—O15—O5^xviii	157.9644 (4)
O13—O4—O17ⁱ	97.026 (3)	O10ⁱⁱ—O15—O5ⁱⁱ	93.155 (8)
O13—O4—O3	68.714 (6)	O10ⁱⁱ—O15—Ce3	69.4791 (1)
O13—O4—O16ⁱ	88.112 (8)	O10ⁱⁱ—O15—Ce3^iv	143.671 (5)
O13—O4—Ce2ⁱ	113.573 (9)	O10ⁱⁱ—O15—Ce3ⁱⁱ	53.9861 (8)
O13—O4—Ce1	52.846 (3)	O10—O15—O10ⁱⁱ	96.888 (6)
O13—O4—O4^vi	121.996 (5)	O10—O15—O10^iv	96.906 (6)
O13—O4—O3^xix	78.146 (7)	O10—O15—O5	93.137 (8)
O13—O4—C2^xix	100.832 (8)	O10—O15—O5^xviii	101.299 (6)
Ce1^xix—O4—O13	49.0432 (19)	O10—O15—O5ⁱⁱ	157.9469 (4)
Ce1^xix—O4—O12^xix	49.9723 (12)	O10—O15—Ce3	53.9753 (8)
Ce1^xix—O4—O17ⁱ	49.9141 (6)	O10—O15—Ce3^iv	69.4877 (1)
Ce1^xix—O4—O3	106.836 (2)	O10—O15—Ce3ⁱⁱ	143.661 (5)
Ce1^xix—O4—O16ⁱ	108.066 (9)	O10—O15—O15ⁱⁱ	34.844 (4)
Ce1^xix—O4—Ce2ⁱ	89.482 (4)	O10—O15—O15^iv	79.8674 (5)
Ce1^xix—O4—Ce1	100.042 (5)	O6ⁱⁱ—O15—O10	146.6261 (11)
Ce1^xix—O4—O4^vi	113.802 (4)	O6ⁱⁱ—O15—O10ⁱⁱ	107.530 (3)
Ce1^xix—O4—O3^xix	54.244 (8)	O6ⁱⁱ—O15—O10^iv	58.523 (8)
Ce1^xix—O4—C2^xix	84.936 (8)	O6ⁱⁱ—O15—O5	103.685 (9)
O1^x—O4—Ce1^xix	115.4973 (19)	O6ⁱⁱ—O15—O5^xviii	61.872 (3)
O1^x—O4—O13	162.7380 (3)	O6ⁱⁱ—O15—O5ⁱⁱ	44.2501 (12)
O1^x—O4—O12^xix	103.338 (5)	O6ⁱⁱ—O15—Ce3	156.856 (2)
O1^x—O4—O17ⁱ	66.285 (3)	O6ⁱⁱ—O15—Ce3^iv	77.4263 (11)
O1^x—O4—O3	128.095 (6)	O6ⁱⁱ—O15—Ce3ⁱⁱ	53.548 (2)
O1^x—O4—O16ⁱ	90.856 (5)	O6ⁱⁱ—O15—O15ⁱⁱ	149.900 (3)
O1^x—O4—Ce2ⁱ	53.331 (8)	O6^iv—O15—O6ⁱⁱ	104.618 (4)
O1^x—O4—Ce1	137.3266 (12)	O6^iv—O15—O10	58.503 (8)
O1^x—O4—O4^vi	68.644 (3)	O6^iv—O15—O10ⁱⁱ	146.5854 (11)
O1^x—O4—O3^xix	98.899 (4)	O6^iv—O15—O10^iv	107.528 (3)
O1^x—O4—C2^xix	83.374 (5)	O6^iv—O15—O5	61.855 (3)
C1^x—O4—O1^x	24.2478 (6)	O6^iv—O15—O5^xviii	44.2430 (12)
C1^x—O4—Ce1^xix	138.7154 (11)	O6^iv—O15—O5ⁱⁱ	103.681 (9)
C1^x—O4—O13	165.0058 (7)	O6^iv—O15—Ce3	77.3946 (11)
C1^x—O4—O12^xix	111.816 (3)	O6^iv—O15—Ce3^iv	53.535 (2)
C1^x—O4—O17ⁱ	88.8098 (16)	O6^iv—O15—Ce3ⁱⁱ	156.880 (2)
C1^x—O4—O3	111.607 (4)	O6^iv—O15—O15ⁱⁱ	46.5982 (16)
C1^x—O4—O16ⁱ	77.183 (7)	O6—O15—O6^iv	104.591 (4)
C1^x—O4—Ce2ⁱ	59.753 (7)	O6—O15—O6ⁱⁱ	104.612 (4)
C1^x—O4—Ce1	114.369 (2)	O6—O15—O10	107.496 (3)
C1^x—O4—O4^vi	69.543 (3)	O6—O15—O10ⁱⁱ	58.503 (8)
C1^x—O4—O3^xix	116.848 (6)	O6—O15—O10^iv	146.6225 (11)
C1^x—O4—C2^xix	93.222 (7)	O6—O15—O5	44.2362 (12)
O6—O5—C3	29.324 (4)	O6—O15—O5^xviii	103.675 (9)
O6^vi—O5—O6	58.527 (9)	O6—O15—O5ⁱⁱ	61.860 (3)
O6^vi—O5—C3	29.324 (4)	O6—O15—Ce3	53.525 (2)
Ce3^vi—O5—O6^vi	61.702 (5)	O6—O15—Ce3^iv	156.852 (2)
Ce3^vi—O5—O6	118.490 (4)	O6—O15—Ce3ⁱⁱ	77.4061 (11)
Ce3^vi—O5—C3	89.6415 (1)	O6—O15—O15ⁱⁱ	79.7232 (3)
Ce3—O5—Ce3^vi	153.211 (5)	Ce2—O16—Ce1^v	116.455 (3)
Ce3—O5—O6^vi	118.490 (4)	Ce3^v—O16—Ce2	109.778 (2)
Ce3—O5—O6	61.702 (5)	Ce3^v—O16—Ce1^v	109.321 (3)
Ce3—O5—C3	89.6415 (1)	O6^v—O16—Ce3^v	56.9826 (4)
C3^xviii—O5—Ce3	97.2823 (12)	O6^v—O16—Ce2	115.020 (8)
C3^xviii—O5—Ce3^vi	97.2823 (12)	O6^v—O16—Ce1^v	56.1509 (17)
C3^xviii—O5—O6^vi	136.609 (3)	O2—O16—O6^v	67.774 (8)
C3^xviii—O5—O6	136.609 (3)	O2—O16—Ce3^v	58.7371 (6)
C3^xviii—O5—C3	148.374	O2—O16—Ce2	56.5030 (7)
O2ⁱ—O5—C3^xviii	130.3207 (12)	O2—O16—Ce1^v	111.212 (8)
O2ⁱ—O5—Ce3	55.0755 (13)	O4^v—O16—O2	70.397 (8)
O2ⁱ—O5—Ce3^vi	98.642 (6)	O4^v—O16—O6^v	72.106 (8)
O2ⁱ—O5—O6^vi	91.877 (4)	O4^v—O16—Ce3^v	117.374 (8)
O2ⁱ—O5—O6	70.706 (3)	O4^v—O16—Ce2	60.3963 (11)
O2ⁱ—O5—C3	78.3561 (3)	O4^v—O16—Ce1^v	57.6204 (19)
O2^x—O5—O2ⁱ	43.614 (7)	O12^iv—O16—O4^v	62.713 (7)
O2^x—O5—C3^xviii	130.3207 (12)	O12^iv—O16—O2	109.2648 (15)
O2^x—O5—Ce3	98.642 (6)	O12^iv—O16—O6^v	131.7652 (10)
O2^x—O5—Ce3^vi	55.0755 (13)	O12^iv—O16—Ce3^v	163.7652 (1)
O2^x—O5—O6^vi	70.706 (3)	O12^iv—O16—Ce2	55.099 (2)
O2^x—O5—O6	91.877 (4)	O12^iv—O16—Ce1^v	84.7280 (18)
O2^x—O5—C3	78.3561 (3)	O10^xxi—O16—O12^iv	124.442 (2)
O15^xviii—O5—O2^x	106.476 (8)	O10^xxi—O16—O4^v	116.5344 (8)
O15^xviii—O5—O2ⁱ	149.6999 (13)	O10^xxi—O16—O2	122.8147 (1)
O15^xviii—O5—C3^xviii	68.856 (2)	O10^xxi—O16—O6^v	62.712 (7)
O15^xviii—O5—Ce3	154.676 (3)	O10^xxi—O16—Ce3^v	71.0059 (16)
O15^xviii—O5—Ce3^vi	52.094 (7)	O10^xxi—O16—Ce2	176.9096 (3)
O15^xviii—O5—O6^vi	68.538 (5)	O10^xxi—O16—Ce1^v	60.660 (3)
O15^xviii—O5—O6	113.393 (5)	O8^v—O16—O10^xxi	110.8188 (15)
O15^xviii—O5—C3	92.2522 (2)	O8^v—O16—O12^iv	109.5526 (15)
O15^iv—O5—O15^xviii	102.588 (10)	O8^v—O16—O4^v	125.5057 (2)
O15^iv—O5—O2^x	149.6999 (13)	O8^v—O16—O2	61.956 (7)
O15^iv—O5—O2ⁱ	106.476 (8)	O8^v—O16—O6^v	109.8427 (14)
O15^iv—O5—C3^xviii	68.856 (2)	O8^v—O16—Ce3^v	56.096 (2)
O15^iv—O5—Ce3	52.094 (7)	O8^v—O16—Ce2	71.7400 (17)
O15^iv—O5—Ce3^vi	154.676 (3)	O8^v—O16—Ce1^v	165.3829 (4)
O15^iv—O5—O6^vi	113.393 (5)	O9^v—O16—O8^v	65.9361 (11)
O15^iv—O5—O6	68.538 (5)	O9^v—O16—O10^xxi	47.2690 (1)
O15^iv—O5—C3	92.2522 (2)	O9^v—O16—O12^iv	129.743 (7)
O15^ix—O5—O15^iv	102.587 (10)	O9^v—O16—O4^v	162.2969 (8)
O15^ix—O5—O15^xviii	0.0240 (1)	O9^v—O16—O2	110.502 (6)
O15^ix—O5—O2^x	106.481 (8)	O9^v—O16—O6^v	91.626 (9)
O15^ix—O5—O2ⁱ	149.7077 (13)	O9^v—O16—Ce3^v	54.959 (7)
O15^ix—O5—C3^xviii	68.834 (2)	O9^v—O16—Ce2	135.7052 (2)
O15^ix—O5—Ce3	154.675 (3)	O9^v—O16—Ce1^v	107.723 (3)
O15^ix—O5—Ce3^vi	52.095 (7)	O7—O16—O9^v	83.807 (7)
O15^ix—O5—O6^vi	68.561 (5)	O7—O16—O8^v	45.7675 (2)
O15^ix—O5—O6	113.416 (5)	O7—O16—O10^xxi	126.283 (7)
O15^ix—O5—C3	92.2762 (2)	O7—O16—O12^iv	66.3854 (12)
O15ⁱⁱ—O5—O15^ix	102.586 (10)	O7—O16—O4^v	113.882 (6)
O15ⁱⁱ—O5—O15^iv	0.0240 (1)	O7—O16—O2	90.455 (9)
O15ⁱⁱ—O5—O15^xviii	102.587 (10)	O7—O16—O6^v	154.6495 (16)
O15ⁱⁱ—O5—O2^x	149.7077 (13)	O7—O16—Ce3^v	101.157 (2)
O15ⁱⁱ—O5—O2ⁱ	106.481 (8)	O7—O16—Ce2	56.702 (7)
O15ⁱⁱ—O5—C3^xviii	68.834 (2)	O7—O16—Ce1^v	148.6845 (1)
O15ⁱⁱ—O5—Ce3	52.095 (7)	C5^xxii—O16—O7	100.979 (9)
O15ⁱⁱ—O5—Ce3^vi	154.675 (3)	C5^xxii—O16—O9^v	26.0922 (16)
O15ⁱⁱ—O5—O6^vi	113.416 (5)	C5^xxii—O16—O8^v	91.942 (3)
O15ⁱⁱ—O5—O6	68.561 (5)	C5^xxii—O16—O10^xxi	25.396 (2)
O15ⁱⁱ—O5—C3	92.2762 (2)	C5^xxii—O16—O12^iv	120.634 (5)
O15^vi—O5—O15ⁱⁱ	102.570 (10)	C5^xxii—O16—O4^v	140.500 (3)
O15^vi—O5—O15^ix	0.0204 (1)	C5^xxii—O16—O2	129.315 (4)
O15^vi—O5—O15^iv	102.571 (10)	C5^xxii—O16—O6^v	84.474 (10)
O15^vi—O5—O15^xviii	0.0199 (1)	C5^xxii—O16—Ce3^v	70.598 (5)
O15^vi—O5—O2^x	106.494 (8)	C5^xxii—O16—Ce2	157.6434 (18)
O15^vi—O5—O2ⁱ	149.7190 (13)	C5^xxii—O16—Ce1^v	82.962 (5)
O15^vi—O5—C3^xviii	68.838 (2)	C4^v—O16—C5^xxii	87.277 (6)
O15^vi—O5—Ce3	154.659 (3)	C4^v—O16—O7	24.8799 (15)
O15^vi—O5—Ce3^vi	52.110 (7)	C4^v—O16—O9^v	64.702 (4)
O15^vi—O5—O6^vi	68.554 (5)	C4^v—O16—O8^v	24.782 (2)
O15^vi—O5—O6	113.398 (5)	C4^v—O16—O10^xxi	111.597 (4)
O15^vi—O5—C3	92.2639 (2)	C4^v—O16—O12^iv	91.226 (3)
O15—O5—O15^vi	102.555 (10)	C4^v—O16—O4^v	131.854 (4)
O15—O5—O15ⁱⁱ	0.0204 (1)	C4^v—O16—O2	83.166 (10)
O15—O5—O15^ix	102.570 (10)	C4^v—O16—O6^v	133.416 (3)
O15—O5—O15^iv	0.0199 (1)	C4^v—O16—Ce3^v	77.038 (4)
O15—O5—O15^xviii	102.571 (10)	C4^v—O16—Ce2	71.465 (5)
O15—O5—O2^x	149.7190 (13)	C4^v—O16—Ce1^v	165.6060 (15)
O15—O5—O2ⁱ	106.494 (8)	O11^v—O16—C4^v	110.266 (9)
O15—O5—C3^xviii	68.838 (2)	O11^v—O16—C5^xxii	60.155 (4)
O15—O5—Ce3	52.110 (7)	O11^v—O16—O7	99.222 (8)
O15—O5—Ce3^vi	154.659 (3)	O11^v—O16—O9^v	82.088 (6)
O15—O5—O6^vi	113.398 (5)	O11^v—O16—O8^v	132.633 (7)
O15—O5—O6	68.554 (5)	O11^v—O16—O10^xxi	59.5288 (8)
O15—O5—C3	92.2639 (2)	O11^v—O16—O12^iv	65.1525 (11)
O6^xviii—O5—O15	92.961 (5)	O11^v—O16—O4^v	95.108 (8)
O6^xviii—O5—O15^vi	59.525 (2)	O11^v—O16—O2	165.0132 (2)
O6^xviii—O5—O15ⁱⁱ	92.958 (5)	O11^v—O16—O6^v	104.840 (7)
O6^xviii—O5—O15^ix	59.513 (2)	O11^v—O16—Ce3^v	129.3030 (6)
O6^xviii—O5—O15^iv	92.979 (5)	O11^v—O16—Ce2	120.2245 (13)
O6^xviii—O5—O15^xviii	59.537 (2)	O11^v—O16—Ce1^v	55.561 (8)
O6^xviii—O5—O2^x	108.957 (4)	Ce2—O17—Ce3	114.113 (3)
O6^xviii—O5—O2ⁱ	126.2239 (14)	Ce1^iv—O17—Ce2	107.1224 (19)
O6^xviii—O5—C3^xviii	24.181 (3)	Ce1^iv—O17—Ce3	115.234 (2)
O6^xviii—O5—Ce3	115.181 (3)	O12^iv—O17—Ce1^iv	56.9200 (1)
O6^xviii—O5—Ce3^vi	74.258 (4)	O12^iv—O17—Ce2	56.4163 (11)
O6^xviii—O5—O6^vi	125.720 (7)	O12^iv—O17—Ce3	112.336 (8)
O6^xviii—O5—O6	159.0602 (2)	O8—O17—O12^iv	69.705 (8)
O6^xviii—O5—C3	151.767 (2)	O8—O17—Ce1^iv	118.309 (7)
O6^iv—O5—O6^xviii	41.972 (7)	O8—O17—Ce2	57.4639 (13)
O6^iv—O5—O15	59.525 (2)	O8—O17—Ce3	58.6014 (16)
O6^iv—O5—O15^vi	92.961 (5)	O10—O17—O8	72.509 (8)
O6^iv—O5—O15ⁱⁱ	59.513 (2)	O10—O17—O12^iv	68.464 (8)
O6^iv—O5—O15^ix	92.958 (5)	O10—O17—Ce1^iv	61.3787 (6)
O6^iv—O5—O15^iv	59.537 (2)	O10—O17—Ce2	114.192 (8)
O6^iv—O5—O15^xviii	92.979 (5)	O10—O17—Ce3	57.0140 (15)
O6^iv—O5—O2^x	126.2239 (14)	O2ⁱ—O17—O10	113.5901 (11)
O6^iv—O5—O2ⁱ	108.957 (4)	O2ⁱ—O17—O8	62.846 (7)
O6^iv—O5—C3^xviii	24.181 (3)	O2ⁱ—O17—O12^iv	127.9074 (5)
O6^iv—O5—Ce3	74.258 (4)	O2ⁱ—O17—Ce1^iv	172.4223 (1)
O6^iv—O5—Ce3^vi	115.181 (3)	O2ⁱ—O17—Ce2	79.9470 (17)
O6^iv—O5—O6^vi	159.0602 (2)	O2ⁱ—O17—Ce3	58.298 (3)
O6^iv—O5—O6	125.720 (7)	O6^iv—O17—O2ⁱ	119.0939 (18)
O6^iv—O5—C3	151.767 (2)	O6^iv—O17—O10	62.300 (7)
O6^vi—O6—C3	29.271 (4)	O6^iv—O17—O8	130.9954 (8)
O5—O6—O6^vi	60.737 (4)	O6^iv—O17—O12^iv	107.5822 (17)
O5—O6—C3	31.5978 (1)	O6^iv—O17—Ce1^iv	53.992 (2)
Ce1—O6—O5	167.1642 (6)	O6^iv—O17—Ce2	160.8261 (1)
Ce1—O6—O6^vi	119.721 (4)	O6^iv—O17—Ce3	80.6192 (18)
Ce1—O6—C3	146.4943 (5)	O4^v—O17—O6^iv	105.9960 (14)
Ce3—O6—Ce1	108.727 (8)	O4^v—O17—O2ⁱ	119.8010 (18)
Ce3—O6—O5	66.187 (9)	O4^v—O17—O10	122.1115 (1)
Ce3—O6—O6^vi	124.934 (5)	O4^v—O17—O8	113.6528 (10)
Ce3—O6—C3	96.234 (9)	O4^v—O17—O12^iv	62.176 (7)
O16ⁱ—O6—Ce3	56.702 (5)	O4^v—O17—Ce1^iv	67.1743 (16)
O16ⁱ—O6—Ce1	55.793 (4)	O4^v—O17—Ce2	58.546 (3)
O16ⁱ—O6—O5	114.457 (5)	O4^v—O17—Ce3	172.2465 (6)
O16ⁱ—O6—O6^vi	138.988 (5)	O3^xviii—O17—O4^v	43.7209 (4)
O16ⁱ—O6—C3	131.257 (6)	O3^xviii—O17—O6^iv	65.2125 (11)
O17ⁱⁱ—O6—O16ⁱ	102.930 (5)	O3^xviii—O17—O2ⁱ	129.089 (7)
O17ⁱⁱ—O6—Ce3	126.105 (6)	O3^xviii—O17—O10	111.597 (6)
O17ⁱⁱ—O6—Ce1	55.4436 (7)	O3^xviii—O17—O8	156.4651 (13)
O17ⁱⁱ—O6—O5	137.3094 (1)	O3^xviii—O17—O12^iv	89.855 (9)
O17ⁱⁱ—O6—O6^vi	103.146 (2)	O3^xviii—O17—Ce1^iv	53.068 (6)
O17ⁱⁱ—O6—C3	124.8427 (8)	O3^xviii—O17—Ce2	101.844 (3)
O10ⁱⁱ—O6—O17ⁱⁱ	57.6169 (8)	O3^xviii—O17—Ce3	143.8805 (3)
O10ⁱⁱ—O6—O16ⁱ	60.828 (8)	C2^xviii—O17—O3^xviii	24.1798 (14)
O10ⁱⁱ—O6—Ce3	70.020 (7)	C2^xviii—O17—O4^v	23.871 (2)
O10ⁱⁱ—O6—Ce1	59.763 (4)	C2^xviii—O17—O6^iv	89.365 (3)
O10ⁱⁱ—O6—O5	125.212 (3)	C2^xviii—O17—O2ⁱ	117.383 (5)
O10ⁱⁱ—O6—O6^vi	158.488 (3)	C2^xviii—O17—O10	128.893 (4)
O10ⁱⁱ—O6—C3	153.137 (4)	C2^xviii—O17—O8	136.011 (3)
O15^iv—O6—O10ⁱⁱ	60.372 (3)	C2^xviii—O17—O12^iv	83.146 (10)
O15^iv—O6—O17ⁱⁱ	88.7766 (18)	C2^xviii—O17—Ce1^iv	67.539 (4)
O15^iv—O6—O16ⁱ	97.647 (7)	C2^xviii—O17—Ce2	78.793 (4)
O15^iv—O6—Ce3	52.394 (2)	C2^xviii—O17—Ce3	163.4768 (15)

Symmetry codes: (i) −y+1, x−y, z; (ii) −x+y, −x+1, z; (iii) −y, x−y, z; (iv) −y+1, x−y+1, z; (v) −x+y+1, −x+1, z; (vi) x, y, −z; (vii) −x+y+1, −x+1, −z; (viii) −y, x−y, −z; (ix) −x+y, −x+1, −z; (x) −y+1, x−y, −z; (xi) x, y, −z+1; (xii) −y+1, x−y, −z+1; (xiii) −y+1, x−y+1, −z+1; (xiv) −x+y+1, −x+2, z; (xv) −x+y+1, −x+2, −z+1; (xvi) −y, x−y, −z+1; (xvii) −x+y, −x+1, −z+1; (xviii) −y+1, x−y+1, −z; (xix) −x+y, −x, z; (xx) −x+y+1, −x+1, −z+1; (xxi) −y+2, x−y+1, z; (xxii) −y+2, x−y+1, −z+1.

Acknowledgements

Use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02–76SF00515. The National Renewable Energy Laboratory is operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36–08GO28308.

Funding information

Funding for this research was provided by: U.S. Department of Energy's Office of Energy Efficiency & Renewable Energy, Hydrogen Fuel Cell Technology Office through Memorandum of Purchase Order 23-0068-IE with the National Renewable Energy Laboratory.

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Volume 81| Part 6| June 2025| Pages 530-533

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research communications\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Ortho­rhom­bic cerium(III) carbonate hydroxide studied by synchrotron powder X-ray diffraction

1. Chemical context

2. Structural commentary

3. Database survey

4. Experimental

5. Refinement

Supporting information

Acknowledgements

Funding information

References

research communications

Orthorhombic cerium(III) carbonate hydroxide studied by synchrotron powder X-ray diffraction