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A caesium thorium(IV) silicate has been synthesized serendipitously under high-temperature solid-state conditions by the reaction of ThIV with a fused silica/alumina reaction crucible. The compound crystallizes in the orthorhombic space group Pca21. The crystal structure consists of ThO6 distorted octa­hedra corner-shared with SiO4 tetra­hedra to form an anionic three-dimensional framework possessing extended channels containing Cs+ cations. Cs2ThSi6O15 is a phyllosilicate with the same sheet structure as β-K3NdSi6O15.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805008421/wm6055sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805008421/wm6055Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 193 K
  • Mean [sigma](i-O) = 0.008 Å
  • R factor = 0.035
  • wR factor = 0.076
  • Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found



Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.548 From the CIF: _refine_ls_abs_structure_Flack_su 0.008 PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 0.55 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.29 From the CIF: _reflns_number_total 4001 Count of symmetry unique reflns 2085 Completeness (_total/calc) 191.89% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1916 Fraction of Friedel pairs measured 0.919 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXP97 (Sheldrick, 1997) and ATOMS (Dowty, 1999); software used to prepare material for publication: SHELXL97.

caesium thorium(IV) silicate top
Crystal data top
Cs2ThSi6O15F(000) = 1616
Mr = 906.40Dx = 3.744 Mg m3
Orthorhombic, Pca21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2acCell parameters from 4001 reflections
a = 16.292 (1) Åθ = 2.5–28.3°
b = 7.2154 (6) ŵ = 14.25 mm1
c = 13.680 (1) ÅT = 193 K
V = 1608.1 (2) Å3Block, colorless
Z = 40.04 × 0.03 × 0.01 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
4001 independent reflections
Radiation source: fine-focus sealed tube3649 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.058
ω scansθmax = 28.3°, θmin = 2.5°
Absorption correction: analytical
(SHELXL97; Sheldrick, 1997)
h = 2121
Tmin = 0.452, Tmax = 0.757k = 99
15290 measured reflectionsl = 1818
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035 w = 1/[σ2(Fo2) + (0.0232P)2 + 6.6296P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.076(Δ/σ)max = 0.003
S = 1.07Δρmax = 1.94 e Å3
4001 reflectionsΔρmin = 1.69 e Å3
218 parametersAbsolute structure: Flack (1983), 1916 Friedel pairs
1 restraintAbsolute structure parameter: 0.548 (8)
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Th0.120087 (17)0.28758 (4)0.14972 (3)0.00868 (8)
Cs10.03198 (5)0.75571 (10)0.00043 (6)0.02933 (18)
Cs20.14389 (6)0.77550 (12)0.31009 (6)0.0408 (2)
Si10.07690 (16)0.4530 (3)0.2215 (2)0.0107 (5)
Si20.05602 (16)0.0359 (4)0.2288 (2)0.0096 (5)
Si30.30808 (15)0.0139 (4)0.0747 (2)0.0105 (5)
Si40.28295 (15)0.5810 (4)0.0713 (2)0.0098 (5)
Si50.10902 (15)0.2496 (3)0.1180 (2)0.0084 (5)
Si60.20396 (17)0.2806 (4)0.4061 (2)0.0105 (5)
O10.0114 (4)0.4873 (9)0.1780 (5)0.0161 (16)
O20.0913 (5)0.5668 (11)0.3204 (6)0.0242 (18)
O30.1472 (4)0.5028 (8)0.1422 (9)0.0225 (16)
O40.0905 (5)0.2404 (8)0.2565 (6)0.0141 (15)
O50.0351 (4)0.0403 (9)0.1879 (5)0.0117 (14)
O60.1169 (4)0.0562 (8)0.1503 (9)0.0185 (13)
O70.2227 (4)0.0851 (10)0.1157 (5)0.0202 (17)
O80.3054 (4)0.2048 (9)0.0471 (5)0.0137 (15)
O90.3365 (4)0.1214 (9)0.0249 (5)0.0155 (15)
O100.1938 (4)0.5557 (10)0.1177 (5)0.0177 (16)
O110.0782 (4)0.2725 (10)0.0085 (5)0.0192 (16)
O120.0593 (4)0.0836 (10)0.1699 (5)0.0147 (15)
O130.1470 (5)0.3113 (10)0.3123 (5)0.0213 (17)
O140.2938 (4)0.2023 (11)0.3765 (6)0.0188 (18)
O150.2108 (4)0.4746 (10)0.4667 (5)0.0184 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Th0.00769 (12)0.01052 (13)0.00783 (13)0.00003 (12)0.00036 (18)0.0000 (2)
Cs10.0380 (4)0.0273 (4)0.0227 (4)0.0086 (3)0.0041 (3)0.0056 (3)
Cs20.0656 (6)0.0282 (4)0.0286 (4)0.0175 (4)0.0135 (4)0.0032 (4)
Si10.0111 (13)0.0102 (12)0.0109 (13)0.0002 (9)0.0003 (11)0.0002 (11)
Si20.0115 (13)0.0077 (11)0.0096 (14)0.0033 (9)0.0005 (10)0.0014 (11)
Si30.0109 (13)0.0088 (13)0.0119 (14)0.0033 (9)0.0002 (11)0.0024 (11)
Si40.0100 (12)0.0085 (12)0.0110 (13)0.0034 (9)0.0001 (10)0.0018 (10)
Si50.0071 (12)0.0088 (13)0.0095 (12)0.0006 (9)0.0026 (9)0.0001 (9)
Si60.0101 (13)0.0127 (14)0.0087 (13)0.0021 (11)0.0007 (10)0.0008 (12)
O10.018 (3)0.006 (3)0.024 (4)0.003 (3)0.002 (3)0.002 (3)
O20.036 (5)0.024 (4)0.013 (4)0.002 (3)0.003 (3)0.005 (3)
O30.021 (3)0.010 (3)0.036 (5)0.001 (2)0.012 (5)0.001 (4)
O40.018 (4)0.003 (3)0.021 (4)0.002 (2)0.005 (3)0.001 (3)
O50.012 (3)0.007 (3)0.017 (4)0.000 (3)0.002 (3)0.005 (3)
O60.017 (3)0.015 (3)0.023 (3)0.003 (2)0.009 (4)0.000 (5)
O70.021 (4)0.024 (4)0.015 (4)0.008 (3)0.000 (3)0.005 (3)
O80.011 (3)0.008 (3)0.022 (4)0.002 (3)0.002 (3)0.003 (3)
O90.020 (4)0.012 (3)0.014 (4)0.003 (3)0.001 (3)0.005 (3)
O100.008 (3)0.020 (4)0.025 (4)0.003 (3)0.000 (3)0.000 (3)
O110.020 (4)0.027 (4)0.010 (4)0.000 (3)0.002 (3)0.001 (3)
O120.014 (3)0.018 (4)0.012 (4)0.003 (3)0.001 (3)0.004 (3)
O130.027 (4)0.030 (4)0.007 (4)0.003 (3)0.000 (3)0.004 (3)
O140.007 (3)0.031 (5)0.018 (4)0.002 (3)0.001 (3)0.001 (3)
O150.024 (4)0.011 (3)0.020 (4)0.002 (3)0.000 (3)0.001 (3)
Geometric parameters (Å, º) top
Th—O72.269 (7)Si2—Cs1vi4.017 (3)
Th—O112.272 (7)Si3—O71.585 (7)
Th—O132.273 (8)Si3—O81.623 (7)
Th—O12.315 (7)Si3—O6viii1.630 (9)
Th—O52.318 (6)Si3—O91.635 (7)
Th—O102.319 (7)Si3—Cs2ix4.084 (3)
Th—Cs24.1663 (10)Si3—Cs1x4.138 (3)
Th—Cs14.2057 (8)Si4—O101.596 (7)
Th—Cs2i4.3146 (10)Si4—O3x1.614 (9)
Th—Cs1i4.5833 (9)Si4—O8ii1.622 (7)
Cs1—O13.134 (7)Si4—O15xi1.627 (8)
Cs1—O5ii3.295 (7)Si4—Cs2xi4.019 (3)
Cs1—O9iii3.323 (7)Si5—O111.588 (8)
Cs1—O12ii3.342 (7)Si5—O2iv1.597 (8)
Cs1—O103.412 (7)Si5—O121.611 (7)
Cs1—O4iv3.459 (8)Si5—O14xi1.621 (7)
Cs1—O6ii3.461 (9)Si5—Cs1i4.106 (3)
Cs1—O2iv3.515 (8)Si5—Cs2iv4.240 (3)
Cs1—O113.568 (7)Si6—O131.600 (8)
Cs1—O11ii3.806 (7)Si6—O141.620 (7)
Cs1—Si2ii3.997 (3)Si6—O9xii1.626 (7)
Cs1—Si2iv4.017 (3)Si6—O151.630 (8)
Cs2—O5ii3.096 (6)Si6—Cs2i3.996 (3)
Cs2—O103.179 (7)Si6—Cs1vi4.060 (3)
Cs2—O153.239 (7)O2—Si5vi1.597 (8)
Cs2—O8v3.348 (7)O2—Cs1vi3.515 (8)
Cs2—O133.350 (8)O3—Si4iii1.614 (9)
Cs2—O9v3.380 (7)O4—Cs1vi3.459 (8)
Cs2—O12vi3.474 (7)O5—Cs2i3.096 (6)
Cs2—O13.500 (7)O5—Cs1i3.295 (7)
Cs2—O7ii3.703 (8)O6—Si3xiii1.630 (9)
Cs2—Si2ii3.921 (3)O6—Cs1i3.461 (9)
Cs2—Si63.929 (3)O7—Cs2i3.703 (7)
Cs2—Si6ii3.996 (3)O8—Si4i1.622 (7)
Si1—O11.577 (7)O8—Cs2ix3.348 (7)
Si1—O21.600 (8)O9—Si6xi1.626 (7)
Si1—O31.617 (9)O9—Cs1x3.323 (7)
Si1—O41.622 (7)O9—Cs2ix3.380 (7)
Si1—Cs1vi4.156 (3)O11—Cs1i3.806 (7)
Si2—O51.587 (7)O12—Si2xiv1.633 (7)
Si2—O61.606 (10)O12—Cs1i3.342 (7)
Si2—O41.624 (7)O12—Cs2iv3.474 (7)
Si2—O12vii1.633 (7)O14—Si5xii1.621 (7)
Si2—Cs2i3.921 (3)O15—Si4xii1.627 (8)
Si2—Cs1i3.997 (3)
O7—Th—O1189.7 (3)O9v—Cs2—Si6ii23.62 (12)
O7—Th—O1396.1 (3)O12vi—Cs2—Si6ii86.59 (12)
O11—Th—O13173.5 (3)O1—Cs2—Si6ii149.63 (12)
O7—Th—O1177.0 (2)O7ii—Cs2—Si6ii66.48 (12)
O11—Th—O187.7 (3)Si2ii—Cs2—Si6ii81.94 (6)
O13—Th—O186.4 (3)Si6—Cs2—Si6ii131.15 (8)
O7—Th—O589.5 (2)O1—Si1—O2111.9 (4)
O11—Th—O589.9 (2)O1—Si1—O3111.0 (5)
O13—Th—O587.3 (3)O2—Si1—O3110.4 (5)
O1—Th—O589.1 (2)O1—Si1—O4112.6 (4)
O7—Th—O1096.7 (3)O2—Si1—O4102.5 (4)
O11—Th—O1090.9 (2)O3—Si1—O4108.1 (4)
O13—Th—O1091.3 (3)O2—Si1—Cs1114.3 (3)
O1—Th—O1084.7 (2)O3—Si1—Cs172.2 (3)
O5—Th—O10173.8 (2)O4—Si1—Cs1140.7 (3)
O7—Th—Cs2125.71 (19)O1—Si1—Cs1vi104.0 (3)
O11—Th—Cs2124.75 (18)O2—Si1—Cs1vi55.8 (3)
O13—Th—Cs253.37 (19)O3—Si1—Cs1vi145.0 (4)
O1—Th—Cs257.13 (17)O4—Si1—Cs1vi53.9 (3)
O5—Th—Cs2125.96 (17)Cs1—Si1—Cs1vi141.91 (7)
O10—Th—Cs249.18 (17)O5—Si2—O6110.6 (5)
O7—Th—Cs1131.96 (18)O5—Si2—O4112.8 (4)
O11—Th—Cs158.04 (18)O6—Si2—O4108.6 (4)
O13—Th—Cs1118.89 (19)O5—Si2—O12vii109.9 (4)
O1—Th—Cs147.21 (17)O6—Si2—O12vii109.2 (4)
O5—Th—Cs1121.64 (16)O4—Si2—O12vii105.7 (4)
O10—Th—Cs154.16 (17)O5—Si2—Cs2i48.1 (2)
Cs2—Th—Cs167.064 (17)O6—Si2—Cs2i120.3 (2)
O7—Th—Cs2i59.10 (19)O4—Si2—Cs2i131.0 (3)
O11—Th—Cs2i118.06 (18)O12vii—Si2—Cs2i62.2 (2)
O13—Th—Cs2i63.23 (19)O5—Si2—Cs1i53.0 (3)
O1—Th—Cs2i121.12 (17)O6—Si2—Cs1i59.2 (3)
O5—Th—Cs2i43.93 (16)O4—Si2—Cs1i140.1 (3)
O10—Th—Cs2i139.81 (17)O12vii—Si2—Cs1i114.3 (3)
Cs2—Th—Cs2i116.58 (2)Cs2i—Si2—Cs1i71.47 (5)
Cs1—Th—Cs2i165.189 (19)O5—Si2—Cs1vi103.1 (3)
O7—Th—Cs1i66.40 (19)O6—Si2—Cs1vi146.3 (4)
O11—Th—Cs1i55.87 (18)O4—Si2—Cs1vi58.5 (3)
O13—Th—Cs1i124.18 (19)O12vii—Si2—Cs1vi54.4 (3)
O1—Th—Cs1i110.89 (17)Cs2i—Si2—Cs1vi80.60 (5)
O5—Th—Cs1i43.07 (17)Cs1i—Si2—Cs1vi151.38 (7)
O10—Th—Cs1i140.90 (17)O7—Si3—O8111.9 (4)
Cs2—Th—Cs1i166.574 (19)O7—Si3—O6viii111.9 (4)
Cs1—Th—Cs1i110.29 (2)O8—Si3—O6viii110.5 (3)
Cs2i—Th—Cs1i62.547 (16)O7—Si3—O9112.9 (4)
O1—Cs1—O5ii77.17 (17)O8—Si3—O9105.9 (4)
O1—Cs1—O9iii98.11 (18)O6viii—Si3—O9103.2 (4)
O5ii—Cs1—O9iii85.85 (16)O7—Si3—Cs2ix128.2 (3)
O1—Cs1—O12ii172.74 (17)O8—Si3—Cs2ix52.3 (3)
O5ii—Cs1—O12ii95.69 (16)O6viii—Si3—Cs2ix119.9 (4)
O9iii—Cs1—O12ii82.47 (17)O9—Si3—Cs2ix53.6 (3)
O1—Cs1—O1056.80 (17)O7—Si3—Cs1x137.0 (3)
O5ii—Cs1—O1083.19 (16)O8—Si3—Cs1x110.9 (3)
O9iii—Cs1—O10154.31 (17)O6viii—Si3—Cs1x54.7 (4)
O12ii—Cs1—O10121.66 (16)O9—Si3—Cs1x49.7 (2)
O1—Cs1—O4iv141.55 (16)Cs2ix—Si3—Cs1x77.30 (5)
O5ii—Cs1—O4iv137.92 (15)O10—Si4—O3x111.1 (5)
O9iii—Cs1—O4iv99.49 (17)O10—Si4—O8ii113.3 (4)
O12ii—Cs1—O4iv44.83 (16)O3x—Si4—O8ii108.7 (4)
O10—Cs1—O4iv104.23 (17)O10—Si4—O15xi110.6 (4)
O1—Cs1—O6ii72.7 (2)O3x—Si4—O15xi107.9 (5)
O5ii—Cs1—O6ii45.63 (18)O8ii—Si4—O15xi104.8 (4)
O9iii—Cs1—O6ii44.3 (2)O10—Si4—Cs2xi131.6 (3)
O12ii—Cs1—O6ii103.25 (19)O3x—Si4—Cs2xi117.2 (4)
O10—Cs1—O6ii115.2 (2)O8ii—Si4—Cs2xi54.5 (3)
O4iv—Cs1—O6ii139.7 (2)O15xi—Si4—Cs2xi50.6 (3)
O1—Cs1—O2iv99.40 (17)O3x—Si4—Cs292.2 (4)
O5ii—Cs1—O2iv162.45 (17)O8ii—Si4—Cs287.8 (3)
O9iii—Cs1—O2iv111.71 (17)O15xi—Si4—Cs2150.7 (3)
O12ii—Cs1—O2iv87.03 (18)Cs2xi—Si4—Cs2137.06 (7)
O10—Cs1—O2iv80.66 (17)O11—Si5—O2iv110.8 (4)
O4iv—Cs1—O2iv42.21 (16)O11—Si5—O12109.5 (4)
O6ii—Cs1—O2iv150.20 (18)O2iv—Si5—O12107.1 (4)
O1—Cs1—O1156.14 (17)O11—Si5—O14xi112.0 (4)
O5ii—Cs1—O11129.03 (16)O2iv—Si5—O14xi109.0 (4)
O9iii—Cs1—O11117.37 (16)O12—Si5—O14xi108.3 (4)
O12ii—Cs1—O11129.94 (17)O11—Si5—Cs1i67.9 (3)
O10—Cs1—O1155.83 (17)O2iv—Si5—Cs1i150.7 (3)
O4iv—Cs1—O1185.42 (16)O12—Si5—Cs1i51.2 (3)
O6ii—Cs1—O11123.32 (17)O14xi—Si5—Cs1i97.7 (3)
O2iv—Cs1—O1143.42 (17)O11—Si5—Cs156.7 (3)
O1—Cs1—O11ii130.49 (17)O2iv—Si5—Cs154.9 (3)
O5ii—Cs1—O11ii53.77 (16)O12—Si5—Cs1131.9 (3)
O9iii—Cs1—O11ii85.71 (16)O14xi—Si5—Cs1119.6 (3)
O12ii—Cs1—O11ii42.26 (16)Cs1i—Si5—Cs1121.03 (7)
O10—Cs1—O11ii105.98 (16)O11—Si5—Cs2iv85.2 (3)
O4iv—Cs1—O11ii84.82 (15)O2iv—Si5—Cs2iv74.8 (3)
O6ii—Cs1—O11ii76.81 (15)O12—Si5—Cs2iv51.5 (3)
O2iv—Cs1—O11ii125.02 (17)O14xi—Si5—Cs2iv158.3 (3)
O11—Cs1—O11ii156.2 (2)Cs1i—Si5—Cs2iv75.93 (5)
O1—Cs1—Si2ii70.32 (13)Cs1—Si5—Cs2iv80.50 (5)
O5ii—Cs1—Si2ii22.63 (11)O13—Si6—O14111.8 (4)
O9iii—Cs1—Si2ii66.45 (12)O13—Si6—O9xii109.2 (4)
O12ii—Cs1—Si2ii103.53 (12)O14—Si6—O9xii105.3 (4)
O10—Cs1—Si2ii96.87 (13)O13—Si6—O15109.2 (4)
O4iv—Cs1—Si2ii148.09 (11)O14—Si6—O15111.4 (4)
O6ii—Cs1—Si2ii23.48 (15)O9xii—Si6—O15109.9 (4)
O2iv—Cs1—Si2ii168.67 (13)O13—Si6—Cs257.4 (3)
O11—Cs1—Si2ii126.45 (13)O14—Si6—Cs2117.3 (3)
O11ii—Cs1—Si2ii66.30 (12)O9xii—Si6—Cs2137.3 (3)
O1—Cs1—Si2iv163.74 (13)O15—Si6—Cs253.6 (3)
O5ii—Cs1—Si2iv119.09 (12)O13—Si6—Cs2i73.8 (3)
O9iii—Cs1—Si2iv84.29 (13)O14—Si6—Cs2i79.7 (3)
O12ii—Cs1—Si2iv23.42 (12)O9xii—Si6—Cs2i56.4 (3)
O10—Cs1—Si2iv121.31 (12)O15—Si6—Cs2i165.2 (3)
O4iv—Cs1—Si2iv23.60 (11)Cs2—Si6—Cs2i131.15 (8)
O6ii—Cs1—Si2iv118.10 (17)O13—Si6—Cs1vi73.3 (3)
O2iv—Cs1—Si2iv65.04 (13)O14—Si6—Cs1vi155.7 (3)
O11—Cs1—Si2iv108.46 (13)O9xii—Si6—Cs1vi52.3 (3)
O11ii—Cs1—Si2iv65.62 (12)O15—Si6—Cs1vi87.7 (3)
Si2ii—Cs1—Si2iv124.69 (2)Cs2—Si6—Cs1vi85.87 (6)
O5ii—Cs2—O1090.42 (18)Cs2i—Si6—Cs1vi79.21 (5)
O5ii—Cs2—O15164.46 (17)Si1—O1—Th131.5 (4)
O10—Cs2—O1597.30 (18)Si1—O1—Cs1119.2 (3)
O5ii—Cs2—O8v129.62 (17)Th—O1—Cs1100.0 (2)
O10—Cs2—O8v139.44 (17)Si1—O1—Cs2117.5 (3)
O15—Cs2—O8v45.99 (17)Th—O1—Cs289.1 (2)
O5ii—Cs2—O13129.09 (18)Cs1—O1—Cs288.23 (16)
O10—Cs2—O1360.30 (18)Si5vi—O2—Si1154.0 (6)
O15—Cs2—O1347.07 (18)Si5vi—O2—Cs1vi103.3 (4)
O8v—Cs2—O1391.73 (17)Si1—O2—Cs1vi102.1 (3)
O5ii—Cs2—O9v87.64 (17)Si4iii—O3—Si1145.0 (4)
O10—Cs2—O9v153.77 (17)Si1—O4—Si2138.0 (5)
O15—Cs2—O9v91.24 (17)Si1—O4—Cs1vi103.8 (3)
O8v—Cs2—O9v45.48 (16)Si2—O4—Cs1vi97.9 (3)
O13—Cs2—O9v136.97 (17)Si2—O5—Th130.8 (4)
O5ii—Cs2—O12vi46.89 (16)Si2—O5—Cs2i109.4 (3)
O10—Cs2—O12vi117.07 (17)Th—O5—Cs2i104.8 (2)
O15—Cs2—O12vi117.70 (17)Si2—O5—Cs1i104.4 (3)
O8v—Cs2—O12vi98.42 (16)Th—O5—Cs1i108.2 (2)
O13—Cs2—O12vi107.83 (17)Cs2i—O5—Cs1i92.66 (17)
O9v—Cs2—O12vi79.72 (17)Si2—O6—Si3xiii144.1 (4)
O5ii—Cs2—O174.64 (16)Si2—O6—Cs1i97.3 (3)
O10—Cs2—O155.50 (16)Si3xiii—O6—Cs1i102.8 (5)
O15—Cs2—O198.67 (17)Si3—O7—Th158.1 (5)
O8v—Cs2—O1132.65 (16)Si3—O7—Cs2i111.3 (3)
O13—Cs2—O154.53 (17)Th—O7—Cs2i89.2 (2)
O9v—Cs2—O1147.35 (16)Si4i—O8—Si3152.2 (5)
O12vi—Cs2—O168.10 (16)Si4i—O8—Cs2ix102.3 (3)
O5ii—Cs2—O7ii55.84 (16)Si3—O8—Cs2ix105.1 (3)
O10—Cs2—O7ii67.51 (17)Si6xi—O9—Si3134.8 (5)
O15—Cs2—O7ii139.69 (16)Si6xi—O9—Cs1x105.0 (3)
O8v—Cs2—O7ii125.74 (16)Si3—O9—Cs1x108.3 (3)
O13—Cs2—O7ii127.17 (17)Si6xi—O9—Cs2ix100.0 (3)
O9v—Cs2—O7ii90.07 (16)Si3—O9—Cs2ix103.5 (3)
O12vi—Cs2—O7ii102.16 (16)Cs1x—O9—Cs2ix100.00 (18)
O1—Cs2—O7ii101.62 (16)Si4—O10—Th130.0 (4)
O5ii—Cs2—Si2ii22.44 (12)Si4—O10—Cs2120.3 (3)
O10—Cs2—Si2ii102.51 (13)Th—O10—Cs297.3 (2)
O15—Cs2—Si2ii142.04 (14)Si4—O10—Cs1117.8 (3)
O8v—Cs2—Si2ii117.34 (12)Th—O10—Cs192.4 (2)
O13—Cs2—Si2ii119.61 (14)Cs2—O10—Cs189.05 (17)
O9v—Cs2—Si2ii85.08 (12)Si5—O11—Th143.9 (4)
O12vi—Cs2—Si2ii24.58 (12)Si5—O11—Cs1101.4 (3)
O1—Cs2—Si2ii68.04 (12)Th—O11—Cs189.3 (2)
O7ii—Cs2—Si2ii78.19 (12)Si5—O11—Cs1i89.3 (3)
O5ii—Cs2—Si6152.14 (13)Th—O11—Cs1i94.5 (2)
O10—Cs2—Si676.09 (14)Cs1—O11—Cs1i156.2 (2)
O15—Cs2—Si623.90 (13)Si5—O12—Si2xiv141.6 (5)
O8v—Cs2—Si669.72 (12)Si5—O12—Cs1i106.7 (3)
O13—Cs2—Si623.73 (14)Si2xiv—O12—Cs1i102.2 (3)
O9v—Cs2—Si6115.11 (12)Si5—O12—Cs2iv107.2 (3)
O12vi—Cs2—Si6118.49 (12)Si2xiv—O12—Cs2iv93.2 (3)
O1—Cs2—Si677.66 (12)Cs1i—O12—Cs2iv97.75 (17)
O7ii—Cs2—Si6134.59 (12)Si6—O13—Th152.5 (5)
Si2ii—Cs2—Si6137.50 (6)Si6—O13—Cs298.9 (3)
O5ii—Cs2—Si6ii75.80 (13)Th—O13—Cs293.7 (2)
O10—Cs2—Si6ii131.65 (13)Si5xii—O14—Si6142.9 (5)
O15—Cs2—Si6ii108.15 (13)Si4xii—O15—Si6148.9 (5)
O8v—Cs2—Si6ii65.32 (12)Si4xii—O15—Cs2106.6 (3)
O13—Cs2—Si6ii154.87 (14)Si6—O15—Cs2102.5 (3)
Symmetry codes: (i) x, y1, z; (ii) x, y+1, z; (iii) x1/2, y+1, z; (iv) x, y+1, z1/2; (v) x+1/2, y+1, z+1/2; (vi) x, y+1, z+1/2; (vii) x, y, z+1/2; (viii) x+1/2, y, z; (ix) x+1/2, y1, z1/2; (x) x+1/2, y+1, z; (xi) x+1/2, y, z1/2; (xii) x+1/2, y, z+1/2; (xiii) x1/2, y, z; (xiv) x, y, z1/2.
 

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