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Acta Crystallographica Section E: Crystallographic Communications logoLink to Acta Crystallographica Section E: Crystallographic Communications
. 2022 Jan 7;78(Pt 2):111–113. doi: 10.1107/S2056989021013554

The layer silicate Cs2SnIVSi6O15

Michael Ketter a, Matthias Weil a,*
PMCID: PMC8819447  PMID: 35145734

The crystal structure of Cs2SnSi6O15 shows a klassengleiche group–subgroup relationship of index 2 with Cs2ZrSi6O15.

Keywords: crystal structure, group-subgroup relation, caesium, tin, silicates

Abstract

Single crystals of Cs2SnSi6O15, dicaesium tin(IV) hexa­silicate, were serendipitously obtained from a CsCl/NaCl flux at 923 K, starting from mixtures of CaO, SnO and TeO2 in a closed silica ampoule. The crystal structure of Cs2SnSi6O15 is constructed from {Si6O15}6– layers extending parallel to (101), and CsI cations with a coordination number of eleven as well as isolated [SnO6] octa­hedra situated between the silicate layers. Each of the nine different SiO4 tetra­hedra in the silicate layer has a connectedness of Q 3 (three bridging and one terminal O atom), which leads to the formation of five- and eight-membered rings. The same type of silicate layer is found in the crystal structure of the mineral zeravshanite. Comparison with other silicates of the type Cs2 M IVSi6O15 (M IV = Ti, Zr, Th, U) revealed a klassengleiche group–subgroup relationship of index 2 between Cs2ZrSi6O15 (Z = 6, space group C2/m) and Cs2SnSi6O15 (Z = 12, space group I2/c).

Chemical context

Calcium oxotellurate(IV), CaTeO3, is known to exist in various polymorphic forms that can be obtained either through solid-state reactions (Trömel & Ziethen-Reichenach, 1970; Stöger et al., 2009) or under hydro­thermal conditions and subsequent dehydration (Poupon et al., 2015). Some of the CaTeO3 polymorphs have a non-centrosymmetric crystal structure and show ferroelectric behaviour (Rai et al., 2002) or a second harmonic generation (SHG) effect (Poupon et al., 2015). These features are thought to be related to the presence of the 5s 2 electron lone pair at the TeIV atom. In a current study it was attempted to incorporate SnII into CaTeO3 under formation of solid solutions (Ca1-x Sn x )TeO3 in order to investigate whether the 5s 2 electron lone pair at the SnII atom has any influence on the ferroelectric or SHG characteristics. For that purpose, a flux medium consisting of a eutectic CsCl/NaCl mixture with a melting point of 766 K (Żemcżużny & Rambach, 1909) was chosen as reaction medium in a closed silica ampoule. In comparison with conventional ceramic routes, this allows the lowering of the reaction temperatures by a simultaneous increase of the diffusion pathways. However, neither the intended (Ca1-x Sn x )TeO3 solid solutions nor other calcium oxotellurates with a partial replacement of CaII by SnII could be prepared this way. One of the side products of this reaction was Cs2SnIVSi6O15, which had formed through attack of the silica glass ampoule by the molten salt mixture and concomitant oxidation of SnII to SnIV. Its crystal structure along with a structural comparison with other silicates is given here.

Structural commentary

The asymmetric unit of Cs2SnSi6O15 comprises three Cs, two Sn, nine Si and twenty-three O sites. Except for one Sn site (Sn2) and one O site (O23), which are located on Wyckoff positions 4b (site symmetry Inline graphic ) and 4e (site symmetry 2), respectively, all atoms are on general positions. The crystal structure of Cs2SnSi6O15 can be described as being built up from silicate layers extending parallel to (101). The silicate layers are linked by caesium cations and isolated [SnO6] octa­hedra situated between adjacent silicate layers (Fig. 1).

Figure 1.

Figure 1

The crystal structure of Cs2SnSi6O15 in a projection along [0 Inline graphic 0]. Cs sites are given in blue, [SnO6] octa­hedra in orange and SiO4 tetra­hedra in red. Displacement parameters are drawn at the 74% probability level. For clarity, the disordered Cs3 site with minor occupancy (Cs3B) is not shown. [Symmetry code: (i) x, y + 1, z + 1.]

Each of the three caesium cations exhibits a coordination number of 11, with Cs—O bond lengths ranging from 2.951 (3) to 3.748 (3) Å. The mean Cs—O bond lengths for the three individual [CsO11] polyhedra (Cs1: 3.312 Å; Cs2: 3.355 Å; Cs3: 3.342 Å) are in very good agreement with the overall mean Cs—O bond length of 3.333 (226) Å calculated from 748 bonds for 11-coordinate Cs (Gagné & Hawthorne, 2016). The two SnIV atoms show slight deviations from a regular octa­hedral coordination, with Sn—O bond lengths ranging from 2.031 (3) to 2.058 (3) Å. The overall mean SnIV—O bond length of 2.054 (10) Å calculated from 32 bonds (Gagné & Hawthorne, 2018) is somewhat longer than the mean values for Sn1 (2.037 Å) and Sn2 (2.047 Å).

All of the nine SiO4 tetra­hedra in the {Si6O15}6– layer have one terminal O atom and are linked to three other SiO4 tetra­hedra by common bridging O atoms. Thus, the connectedness of the silicate tetra­hedra is Q3 according to the notation of Liebau (1985). The bond lengths distribution in the SiO4 tetra­hedra reflects the different roles of the O atoms in the silicate layer. The Si—O bonds to terminal O atoms are shorter by about 0.03 Å (mean 1.588 Å) than those to bridging O atoms (1.621 Å). The total mean Si—O bond in Cs2SnSi6O15 has a value of 1.613 Å, which is slightly shorter than the overall mean of 1.625 (24) calculated from 9128 bonds (Gagné & Hawthorne, 2018). The connectedness of the SiO4 tetra­hedra leads to the formation of a {Si6O15}6– layer comprising five- and eight-membered rings (Fig. 2). The same type of silicate layer is found in the mineral zeravshanite with composition (Cs3.80Na0.18K0.02)Na2(Zr2.73Ti0.19Sn0.04Fe0.04)(Si18O45)(H2O)2 (Uvarova et al., 2004).

Figure 2.

Figure 2

The {Si6O15}6– layer in the crystal structure of Cs2SnSi6O15 shown in a projection along [ Inline graphic 0 Inline graphic ]. Colour code and displacement ellipsoids are as in Fig.1.

Crystal-chemical features of silicates comprising the {Si6O15}6– anion were recently compiled by Wierzbicka-Wieczorek et al. (2015). A topological classification of zirconosilicates and their analogues, where the simplest structure units are [MO6] octa­hedra and TO4 tetra­hedra united by vertices, was reported some time ago by Ilyushin & Blatov (2002). Since the same structure elements are also present in Cs2SnSi6O15 in the form of [SnO6] octa­hedra and SiO4 tetra­hedra, a similar analysis can be made. With respect to the concept of the polyhedral microensemble (PME) introduced by Ilyushin & Blatov (2002), Cs2SnSi6O15 conforms to the PME type C-1. A comparison of the unit-cell parameters of Cs2SnSi6O15 with those of the other reported Cs2 M IVSi6O15 (M IV = Ti, Zr, Th, U) compounds (Table 1) revealed a close relationship between the Sn- and Zr-containing phases. The a and b axes and the β angle in the two structures are very similar, and the c axis of the Sn-containing compound is doubled. Indeed, there is a group–subgroup relationship between the crystal structures of Cs2ZrSi6O15 and Cs2SnSi6O15. The Sn-containing phase crystallizes in a subgroup (I2/c; Z = 12) of the Zr-containing phase (C2/m; Z = 6), defining a klassengleiche relationship of index 2 (Müller, 2013).

Table 1. Crystal data (Å, °) of Cs2 M IVSi6O15 compounds.

M Ti (single-crystal data) a Ti (powder data) b Zr c Th (173 K data) d Th (293 K data) e U f
Space group C2/c Cc C2/m Pca21 Cmc21 Cmc21
Z 4 4 6 4 4 4
a 13.386 (5) 12.988 (2) 26.610 (10) 16.2920 (10) 7.2813 (15) 7.2717 (3)
b 7.423 (3) 7.5014 (3) 7.506 (2) 7.2154 (6) 16.420 (3) 16.3061 (7)
c 15.134 (5) 15.156 (3) 11.602 (4) 13.6800 (10) 13.591 (3) 13.4983 (6)
β 107.71 (3) 105.80 (3) 107.43 (2) 90 90 90
V 1432.51 1420.83 2210.92 1608.13 1624.92 1600.53

References: (a) Grey et al. (1997); (b) Nyman et al. (2000); (c) Jolicart et al. (1996); (d) Woodward et al. (2005); (e) Mann et al. (2015); (f) Liu & Lii (2011).

Synthesis and crystallization

1.2 mmol of CaO (0.067 g), 0.13 mmol SnO (0.018 g) and 1.3 mmol of TeO2 (0.207 g) were intimately mixed with 1 g of an NaCl (35 mol%):CsCl (65 mol%) mixture and filled in a silica ampoule that was subsequently evacuated and torch-sealed. The ampoule was then heated at 923 K for 2 d before the power of the furnace was switched off. The silica ampoule showed a severe attack from the halide flux but was still intact. After washing the recrystallized flux with several portions of warm water and drying the remaining solid in air, a few lath-shaped crystals of the title compound could be isolated under a polarizing microscope. Single-crystal diffraction of other selected crystals revealed α-CaTeO3 (Stöger et al., 2009), CaTe2O5 (Weil & Stöger, 2008) and Ca4Te5O14 (Weil, 2004) as products. Powder X-ray diffraction of the bulk showed the reflections of these phases together with those of SnO2 and also some reflections of non-assignable phase(s).

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2. For better comparison of Cs2SnSi6O15 with the crystal structure of Cs2ZrSi6O15, the unconventional setting I2/c of space group type C2/c (No. 15) was chosen, so that unit-cell parameters a, b, c and β of the Sn-containing phase correspond to a, b, 2c and β of the Zr-containing phase (Jolicart et al., 1996; Table 1). The Cs3 atom in Cs2SnSi6O15 was found to be disordered over two sites in a 0.934 (5):0.066 ratio and was refined with common displacement parameters for the two sites (A and B).

Table 2. Experimental details.

Crystal data
Chemical formula Cs2SnSi6O15
M r 793.05
Crystal system, space group Monoclinic, I2/c
Temperature (K) 296
a, b, c (Å) 26.3434 (10), 7.4805 (3), 22.9137 (7)
β (°) 107.4020 (7)
V3) 4308.7 (3)
Z 12
Radiation type Mo Kα
μ (mm−1) 7.36
Crystal size (mm) 0.12 × 0.03 × 0.01
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015).
T min, T max 0.539, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections 51032, 8282, 5013
R int 0.077
(sin θ/λ)max−1) 0.772
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.037, 0.082, 1.00
No. of reflections 8282
No. of parameters 331
Δρmax, Δρmin (e Å−3) 1.84, −1.48

Computer programs: APEX3 and SAINT (Bruker, 2018), SHELXT (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), ATOMS (Dowty, 2006) and publCIF (Westrip, 2010).

Supplementary Material

Crystal structure: contains datablock(s) I. DOI: 10.1107/S2056989021013554/pk2660sup1.cif

e-78-00111-sup1.cif (1.7MB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989021013554/pk2660Isup2.hkl

e-78-00111-Isup2.hkl (658KB, hkl)

CCDC reference: 2130669

Additional supporting information: crystallographic information; 3D view; checkCIF report

Acknowledgments

The X-ray centre of the Vienna University of Technology is acknowledged for financial support and for providing access to the single-crystal and powder diffractometers.

supplementary crystallographic information

Crystal data

Cs2SnSi6O15 F(000) = 4368
Mr = 793.05 Dx = 3.668 Mg m3
Monoclinic, I2/c Mo Kα radiation, λ = 0.71073 Å
a = 26.3434 (10) Å Cell parameters from 4399 reflections
b = 7.4805 (3) Å θ = 2.8–32.4°
c = 22.9137 (7) Å µ = 7.36 mm1
β = 107.4020 (7)° T = 296 K
V = 4308.7 (3) Å3 Lath, colourless
Z = 12 0.12 × 0.03 × 0.01 mm

Data collection

Bruker APEXII CCD diffractometer 5013 reflections with I > 2σ(I)
ω– and φ–scans Rint = 0.077
Absorption correction: multi-scan (SADABS; Krause et al., 2015). θmax = 33.3°, θmin = 2.8°
Tmin = 0.539, Tmax = 0.747 h = −40→40
51032 measured reflections k = −11→11
8282 independent reflections l = −35→35

Refinement

Refinement on F2 331 parameters
Least-squares matrix: full 0 restraints
R[F2 > 2σ(F2)] = 0.037 w = 1/[σ2(Fo2) + (0.0259P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.082 (Δ/σ)max = 0.002
S = 1.00 Δρmax = 1.84 e Å3
8282 reflections Δρmin = −1.48 e Å3

Special details

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

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

x y z Uiso*/Ueq Occ. (<1)
Cs1 0.39755 (2) −0.01953 (4) 0.18693 (2) 0.01982 (7)
Cs2 0.57484 (2) −0.51580 (4) 0.00767 (2) 0.02128 (7)
Cs3A 0.74609 (2) −0.98408 (7) 0.32160 (8) 0.02213 (18) 0.934 (5)
Cs3B 0.7514 (3) −0.9776 (11) 0.3439 (8) 0.02213 (18) 0.066 (5)
Sn1 0.67822 (2) −0.49735 (4) −0.17784 (2) 0.00700 (6)
Sn2 0.500000 0.000000 0.000000 0.00681 (7)
Si1 0.62500 (5) −0.70216 (15) 0.18853 (6) 0.0075 (2)
Si2 0.63425 (5) −0.30679 (15) 0.18719 (6) 0.0091 (2)
Si3 0.69676 (5) −0.70648 (15) −0.04744 (6) 0.0077 (2)
Si4 0.63589 (4) −0.99872 (15) −0.00070 (5) 0.0067 (2)
Si5 0.81053 (5) −0.81223 (15) 0.04445 (6) 0.0086 (2)
Si6 0.68624 (4) −0.99635 (15) 0.13636 (5) 0.0078 (2)
Si7 0.50782 (5) −0.80838 (15) 0.13301 (6) 0.0080 (2)
Si8 0.51736 (5) −0.20099 (15) 0.13222 (6) 0.0081 (2)
Si9 0.45804 (4) −0.50114 (15) 0.18261 (5) 0.0066 (2)
O1 0.65897 (13) −0.7024 (4) 0.25901 (15) 0.0129 (7)
O2 0.56382 (13) −0.7463 (4) 0.18108 (15) 0.0167 (7)
O3 0.64737 (13) −0.8469 (4) 0.15066 (16) 0.0199 (8)
O4 0.62794 (13) −0.5077 (4) 0.15681 (13) 0.0140 (6)
O5 0.66980 (12) −0.3096 (4) 0.25683 (15) 0.0115 (6)
O6 0.66307 (13) −0.1918 (4) 0.14653 (15) 0.0162 (7)
O7 0.57564 (13) −0.2302 (4) 0.18125 (15) 0.0170 (7)
O8 0.70020 (13) −0.6982 (4) −0.11572 (15) 0.0119 (7)
O9 0.75309 (13) −0.7544 (5) 0.00067 (17) 0.0187 (7)
O10 0.65155 (12) −0.8509 (4) −0.04422 (15) 0.0134 (7)
O11 0.67790 (13) −0.5157 (4) −0.02671 (14) 0.0144 (6)
O12 0.57747 (12) −0.9680 (4) 0.00220 (15) 0.0144 (7)
O13 0.68113 (12) −0.9797 (4) 0.06475 (13) 0.0123 (6)
O14 0.85664 (13) −0.6934 (4) 0.02893 (16) 0.0147 (7)
O15 0.81334 (13) −0.7987 (4) 0.11477 (14) 0.0125 (7)
O16 0.74525 (12) −0.9636 (4) 0.17887 (14) 0.0136 (7)
O17 0.50824 (13) −0.7996 (4) 0.06370 (15) 0.0127 (7)
O18 0.46185 (12) −0.6903 (4) 0.14849 (15) 0.0129 (7)
O19 0.49642 (12) −0.0117 (4) 0.15154 (14) 0.0119 (6)
O20 0.51978 (13) −0.1991 (4) 0.06375 (15) 0.0121 (7)
O21 0.47656 (13) −0.3514 (4) 0.14152 (16) 0.0171 (7)
O22 0.39930 (12) −0.4614 (4) 0.18260 (15) 0.0149 (7)
O23 0.500000 −0.5021 (6) 0.250000 0.0193 (10)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Cs1 0.01741 (15) 0.02075 (15) 0.02457 (17) −0.00118 (12) 0.01126 (13) −0.00080 (13)
Cs2 0.01832 (15) 0.02304 (15) 0.02465 (17) −0.00150 (14) 0.00974 (13) −0.00107 (14)
Cs3A 0.01454 (17) 0.02048 (16) 0.0320 (5) 0.00139 (14) 0.0080 (2) 0.0013 (2)
Cs3B 0.01454 (17) 0.02048 (16) 0.0320 (5) 0.00139 (14) 0.0080 (2) 0.0013 (2)
Sn1 0.00705 (12) 0.00726 (12) 0.00620 (13) 0.00027 (11) 0.00124 (10) 0.00007 (12)
Sn2 0.00707 (17) 0.00700 (17) 0.00653 (18) 0.00038 (16) 0.00229 (14) 0.00016 (17)
Si1 0.0074 (6) 0.0074 (5) 0.0069 (6) −0.0006 (4) 0.0011 (5) −0.0018 (4)
Si2 0.0098 (6) 0.0086 (5) 0.0082 (7) −0.0011 (4) 0.0013 (5) 0.0012 (4)
Si3 0.0086 (6) 0.0076 (5) 0.0064 (7) 0.0007 (4) 0.0016 (5) 0.0012 (4)
Si4 0.0063 (5) 0.0065 (5) 0.0079 (5) −0.0005 (4) 0.0031 (4) 0.0001 (5)
Si5 0.0093 (6) 0.0071 (5) 0.0091 (7) 0.0004 (4) 0.0021 (5) 0.0010 (4)
Si6 0.0077 (5) 0.0091 (5) 0.0065 (5) 0.0003 (5) 0.0020 (4) −0.0002 (5)
Si7 0.0086 (6) 0.0063 (5) 0.0091 (7) −0.0002 (4) 0.0025 (5) −0.0012 (4)
Si8 0.0089 (6) 0.0072 (5) 0.0086 (7) 0.0011 (4) 0.0031 (5) 0.0020 (4)
Si9 0.0068 (5) 0.0064 (5) 0.0071 (5) −0.0012 (5) 0.0029 (4) −0.0004 (5)
O1 0.0160 (17) 0.0111 (15) 0.0096 (18) 0.0011 (12) 0.0008 (14) −0.0006 (12)
O2 0.0086 (16) 0.0259 (18) 0.0147 (19) −0.0032 (13) 0.0020 (14) −0.0048 (14)
O3 0.0168 (18) 0.0198 (17) 0.022 (2) 0.0065 (14) 0.0036 (16) −0.0121 (14)
O4 0.0229 (17) 0.0077 (13) 0.0097 (15) −0.0037 (13) 0.0026 (13) −0.0007 (12)
O5 0.0119 (16) 0.0099 (14) 0.0110 (18) −0.0009 (12) 0.0011 (14) 0.0037 (12)
O6 0.0219 (19) 0.0129 (15) 0.0154 (19) −0.0034 (13) 0.0079 (16) 0.0028 (13)
O7 0.0102 (17) 0.0242 (18) 0.0131 (19) 0.0048 (13) −0.0019 (14) 0.0041 (14)
O8 0.0164 (17) 0.0092 (14) 0.0105 (18) 0.0016 (12) 0.0049 (14) 0.0024 (12)
O9 0.0121 (16) 0.0264 (17) 0.0146 (17) 0.0030 (13) −0.0005 (13) 0.0072 (13)
O10 0.0129 (17) 0.0145 (15) 0.0105 (17) −0.0063 (12) 0.0001 (14) 0.0045 (12)
O11 0.0209 (17) 0.0096 (14) 0.0175 (17) −0.0002 (13) 0.0131 (14) −0.0014 (13)
O12 0.0071 (15) 0.0177 (15) 0.0203 (18) −0.0010 (12) 0.0068 (13) −0.0010 (13)
O13 0.0134 (15) 0.0193 (16) 0.0030 (14) −0.0020 (13) 0.0006 (12) 0.0005 (12)
O14 0.0124 (17) 0.0131 (15) 0.018 (2) −0.0025 (12) 0.0042 (15) 0.0036 (13)
O15 0.0196 (18) 0.0097 (14) 0.0070 (17) 0.0016 (12) 0.0022 (14) 0.0007 (12)
O16 0.0083 (15) 0.0237 (17) 0.0081 (16) −0.0012 (12) 0.0013 (12) −0.0024 (13)
O17 0.0195 (18) 0.0111 (14) 0.0072 (18) −0.0012 (13) 0.0036 (14) −0.0039 (12)
O18 0.0117 (16) 0.0096 (14) 0.0178 (19) 0.0030 (12) 0.0052 (14) −0.0048 (12)
O19 0.0146 (15) 0.0106 (14) 0.0132 (15) 0.0011 (13) 0.0084 (13) 0.0002 (13)
O20 0.0162 (17) 0.0106 (14) 0.0107 (18) 0.0033 (12) 0.0060 (14) 0.0009 (12)
O21 0.0201 (19) 0.0143 (16) 0.017 (2) −0.0077 (13) 0.0064 (16) 0.0061 (13)
O22 0.0081 (15) 0.0155 (15) 0.0211 (18) 0.0013 (12) 0.0042 (14) −0.0025 (13)
O23 0.020 (2) 0.025 (2) 0.011 (2) 0.000 0.0024 (19) 0.000

Geometric parameters (Å, º)

Cs1—O19 2.951 (3) Sn1—O22iii 2.036 (3)
Cs1—O1i 3.237 (3) Sn1—O1x 2.036 (3)
Cs1—O18ii 3.256 (3) Sn1—O15vi 2.038 (3)
Cs1—O10iii 3.282 (3) Sn1—O16vi 2.039 (3)
Cs1—O7iv 3.291 (3) Sn1—O5x 2.044 (3)
Cs1—O5iv 3.299 (3) Sn2—O12iii 2.040 (3)
Cs1—O22 3.308 (3) Sn2—O12ii 2.040 (3)
Cs1—O15v 3.336 (3) Sn2—O20 2.042 (3)
Cs1—O8iii 3.352 (3) Sn2—O20xi 2.042 (3)
Cs1—O2i 3.538 (3) Sn2—O17iii 2.058 (3)
Cs1—O21 3.588 (3) Sn2—O17ii 2.058 (3)
Cs1—Cs3Ai 3.7396 (5) Si1—O1 1.595 (4)
Cs2—O11 3.045 (3) Si1—O2 1.604 (3)
Cs2—O20 3.238 (3) Si1—O3 1.606 (3)
Cs2—O17 3.253 (3) Si1—O4 1.638 (3)
Cs2—O14vi 3.268 (3) Si2—O5 1.590 (3)
Cs2—O4 3.283 (3) Si2—O7 1.614 (3)
Cs2—O17iii 3.300 (3) Si2—O6 1.615 (3)
Cs2—O20iii 3.316 (3) Si2—O4 1.644 (3)
Cs2—O12 3.387 (3) Si3—O8 1.595 (3)
Cs2—O21iii 3.426 (4) Si3—O9 1.602 (4)
Cs2—O10 3.636 (3) Si3—O10 1.626 (3)
Cs2—O18iii 3.748 (3) Si3—O11 1.628 (3)
Cs2—Cs2iii 3.8598 (6) Si4—O12 1.577 (3)
Cs3A—O1 3.129 (3) Si4—O13 1.619 (3)
Cs3A—O8vii 3.195 (3) Si4—O10 1.623 (3)
Cs3A—O4viii 3.206 (3) Si4—O14xii 1.629 (3)
Cs3A—O5ix 3.223 (3) Si5—O15 1.594 (3)
Cs3A—O15viii 3.227 (3) Si5—O9 1.605 (4)
Cs3A—O16 3.268 (3) Si5—O11xii 1.628 (3)
Cs3A—O6viii 3.331 (3) Si5—O14 1.628 (3)
Cs3A—O16viii 3.357 (3) Si6—O16 1.587 (3)
Cs3A—Si2viii 3.5783 (13) Si6—O13 1.611 (3)
Cs3A—O5viii 3.592 (3) Si6—O3 1.615 (3)
Cs3A—O3viii 3.653 (3) Si6—O6ix 1.628 (3)
Cs3B—O15viii 3.007 (10) Si7—O17 1.593 (3)
Cs3B—O8vii 3.050 (9) Si7—O18 1.622 (3)
Cs3B—O4viii 3.186 (8) Si7—O2 1.623 (4)
Cs3B—O6viii 3.308 (8) Si7—O19ix 1.631 (3)
Cs3B—O1 3.334 (12) Si8—O20 1.589 (3)
Cs3B—O16viii 3.347 (9) Si8—O21 1.614 (3)
Cs3B—O5ix 3.494 (13) Si8—O7 1.623 (4)
Cs3B—O3viii 3.580 (8) Si8—O19 1.629 (3)
Cs3B—Si2viii 3.670 (8) Si9—O22 1.576 (3)
Cs3B—O16 3.738 (18) Si9—O23 1.6078 (12)
Cs3B—Si1viii 3.796 (8) Si9—O21 1.629 (3)
Sn1—O8 2.031 (3) Si9—O18 1.634 (3)
O19—Cs1—O1i 129.44 (8) O1—Si1—Cs3Aviii 79.54 (12)
O19—Cs1—O18ii 48.50 (7) O2—Si1—Cs3Aviii 166.44 (14)
O1i—Cs1—O18ii 83.41 (7) O3—Si1—Cs3Aviii 74.38 (13)
O19—Cs1—O10iii 81.34 (8) O4—Si1—Cs3Aviii 58.51 (12)
O1i—Cs1—O10iii 120.55 (8) O1—Si1—Cs3Bviii 86.8 (3)
O18ii—Cs1—O10iii 92.05 (8) O2—Si1—Cs3Bviii 161.0 (3)
O19—Cs1—O7iv 107.28 (8) O3—Si1—Cs3Bviii 70.0 (2)
O1i—Cs1—O7iv 89.80 (8) O4—Si1—Cs3Bviii 56.05 (18)
O18ii—Cs1—O7iv 128.63 (8) Cs3Aviii—Si1—Cs3Bviii 7.4 (2)
O10iii—Cs1—O7iv 133.27 (8) O1—Si1—Cs1xiii 54.50 (11)
O19—Cs1—O5iv 137.94 (8) O2—Si1—Cs1xiii 65.38 (13)
O1i—Cs1—O5iv 88.26 (7) O3—Si1—Cs1xiii 98.41 (13)
O18ii—Cs1—O5iv 170.79 (7) O4—Si1—Cs1xiii 154.79 (12)
O10iii—Cs1—O5iv 95.58 (7) Cs3Aviii—Si1—Cs1xiii 127.81 (4)
O7iv—Cs1—O5iv 47.11 (8) Cs3Bviii—Si1—Cs1xiii 133.4 (2)
O19—Cs1—O22 89.45 (8) O1—Si1—Cs2 156.41 (12)
O1i—Cs1—O22 139.09 (7) O2—Si1—Cs2 87.35 (13)
O18ii—Cs1—O22 137.29 (7) O3—Si1—Cs2 75.41 (14)
O10iii—Cs1—O22 71.33 (8) O4—Si1—Cs2 46.31 (11)
O7iv—Cs1—O22 63.12 (8) Cs3Aviii—Si1—Cs2 80.71 (3)
O5iv—Cs1—O22 50.83 (7) Cs3Bviii—Si1—Cs2 74.0 (3)
O19—Cs1—O15v 111.12 (8) Cs1xiii—Si1—Cs2 148.79 (3)
O1i—Cs1—O15v 49.69 (8) O1—Si1—Cs3A 36.91 (11)
O18ii—Cs1—O15v 69.44 (7) O2—Si1—Cs3A 119.24 (13)
O10iii—Cs1—O15v 73.23 (8) O3—Si1—Cs3A 74.66 (14)
O7iv—Cs1—O15v 136.47 (7) O4—Si1—Cs3A 129.29 (12)
O5iv—Cs1—O15v 107.90 (7) Cs3Aviii—Si1—Cs3A 74.28 (3)
O22—Cs1—O15v 135.35 (8) Cs3Bviii—Si1—Cs3A 79.2 (2)
O19—Cs1—O8iii 119.44 (8) Cs1xiii—Si1—Cs3A 54.428 (19)
O1i—Cs1—O8iii 105.87 (7) Cs2—Si1—Cs3A 145.09 (3)
O18ii—Cs1—O8iii 136.95 (8) O5—Si2—O7 110.53 (17)
O10iii—Cs1—O8iii 46.58 (7) O5—Si2—O6 110.39 (18)
O7iv—Cs1—O8iii 93.90 (8) O7—Si2—O6 111.42 (18)
O5iv—Cs1—O8iii 49.56 (8) O5—Si2—O4 111.56 (16)
O22—Cs1—O8iii 51.07 (7) O7—Si2—O4 108.41 (18)
O15v—Cs1—O8iii 84.72 (7) O6—Si2—O4 104.37 (16)
O19—Cs1—O2i 99.87 (8) O5—Si2—Cs3Aviii 77.67 (12)
O1i—Cs1—O2i 45.36 (8) O7—Si2—Cs3Aviii 170.77 (14)
O18ii—Cs1—O2i 75.78 (8) O6—Si2—Cs3Aviii 68.05 (12)
O10iii—Cs1—O2i 161.62 (7) O4—Si2—Cs3Aviii 63.62 (12)
O7iv—Cs1—O2i 64.15 (7) O5—Si2—Cs3Bviii 85.3 (3)
O5iv—Cs1—O2i 95.55 (7) O7—Si2—Cs3Bviii 163.7 (3)
O22—Cs1—O2i 126.86 (8) O6—Si2—Cs3Bviii 64.3 (2)
O15v—Cs1—O2i 89.43 (7) O4—Si2—Cs3Bviii 60.1 (2)
O8iii—Cs1—O2i 139.69 (7) Cs3Aviii—Si2—Cs3Bviii 7.6 (3)
O19—Cs1—O21 45.41 (7) O5—Si2—Cs1iv 56.99 (11)
O1i—Cs1—O21 172.30 (8) O7—Si2—Cs1iv 56.83 (13)
O18ii—Cs1—O21 92.93 (7) O6—Si2—Cs1iv 112.15 (12)
O10iii—Cs1—O21 66.22 (8) O4—Si2—Cs1iv 143.45 (12)
O7iv—Cs1—O21 87.19 (8) Cs3Aviii—Si2—Cs1iv 132.30 (5)
O5iv—Cs1—O21 94.85 (7) Cs3Bviii—Si2—Cs1iv 139.4 (3)
O22—Cs1—O21 44.39 (7) O5—Si2—Cs2 154.76 (12)
O15v—Cs1—O21 135.03 (8) O7—Si2—Cs2 89.01 (13)
O8iii—Cs1—O21 81.42 (7) O6—Si2—Cs2 74.77 (13)
O2i—Cs1—O21 127.16 (8) O4—Si2—Cs2 44.80 (11)
O19—Cs1—Cs3Ai 161.21 (7) Cs3Aviii—Si2—Cs2 81.95 (4)
O1i—Cs1—Cs3Ai 52.70 (6) Cs3Bviii—Si2—Cs2 74.7 (3)
O18ii—Cs1—Cs3Ai 122.16 (5) Cs1iv—Si2—Cs2 145.67 (4)
O10iii—Cs1—Cs3Ai 82.98 (6) O5—Si2—Cs3Aii 38.62 (11)
O7iv—Cs1—Cs3Ai 91.03 (6) O7—Si2—Cs3Aii 107.08 (13)
O5iv—Cs1—Cs3Ai 54.06 (6) O6—Si2—Cs3Aii 77.00 (13)
O22—Cs1—Cs3Ai 95.29 (5) O4—Si2—Cs3Aii 140.89 (12)
O15v—Cs1—Cs3Ai 53.91 (5) Cs3Aviii—Si2—Cs3Aii 81.93 (4)
O8iii—Cs1—Cs3Ai 53.22 (5) Cs3Bviii—Si2—Cs3Aii 87.7 (2)
O2i—Cs1—Cs3Ai 91.81 (5) Cs1iv—Si2—Cs3Aii 54.01 (2)
O21—Cs1—Cs3Ai 134.39 (5) Cs2—Si2—Cs3Aii 151.10 (3)
O11—Cs2—O20 129.98 (8) O8—Si3—O9 111.77 (18)
O11—Cs2—O17 136.90 (8) O8—Si3—O10 109.12 (18)
O20—Cs2—O17 87.84 (7) O9—Si3—O10 111.11 (18)
O11—Cs2—O14vi 47.93 (7) O8—Si3—O11 111.35 (16)
O20—Cs2—O14vi 84.79 (7) O9—Si3—O11 107.22 (19)
O17—Cs2—O14vi 170.85 (8) O10—Si3—O11 106.12 (16)
O11—Cs2—O4 97.70 (8) O8—Si3—Cs1iii 55.75 (12)
O20—Cs2—O4 71.06 (8) O9—Si3—Cs1iii 131.64 (14)
O17—Cs2—O4 73.34 (8) O10—Si3—Cs1iii 53.45 (12)
O14vi—Cs2—O4 99.06 (8) O11—Si3—Cs1iii 120.94 (13)
O11—Cs2—O17iii 112.47 (8) O8—Si3—Cs3Bxiv 43.6 (2)
O20—Cs2—O17iii 50.51 (7) O9—Si3—Cs3Bxiv 82.2 (2)
O17—Cs2—O17iii 107.82 (6) O10—Si3—Cs3Bxiv 92.32 (16)
O14vi—Cs2—O17iii 71.38 (8) O11—Si3—Cs3Bxiv 153.9 (2)
O4—Cs2—O17iii 121.04 (7) Cs1iii—Si3—Cs3Bxiv 56.65 (16)
O11—Cs2—O20iii 117.98 (7) O8—Si3—Cs2 125.15 (13)
O20—Cs2—O20iii 107.85 (6) O9—Si3—Cs2 121.49 (14)
O17—Cs2—O20iii 50.25 (7) O10—Si3—Cs2 63.86 (12)
O14vi—Cs2—O20iii 137.65 (8) O11—Si3—Cs2 42.26 (11)
O4—Cs2—O20iii 123.29 (7) Cs1iii—Si3—Cs2 93.96 (3)
O17iii—Cs2—O20iii 85.76 (7) Cs3Bxiv—Si3—Cs2 150.41 (15)
O11—Cs2—O12 87.76 (7) O8—Si3—Cs3Axiv 38.41 (11)
O20—Cs2—O12 139.65 (7) O9—Si3—Cs3Axiv 87.05 (14)
O17—Cs2—O12 51.84 (7) O10—Si3—Cs3Axiv 93.01 (12)
O14vi—Cs2—O12 135.12 (7) O11—Si3—Cs3Axiv 149.35 (12)
O4—Cs2—O12 92.86 (8) Cs1iii—Si3—Cs3Axiv 53.629 (19)
O17iii—Cs2—O12 135.53 (8) Cs3Bxiv—Si3—Cs3Axiv 5.5 (2)
O20iii—Cs2—O12 50.21 (7) Cs2—Si3—Cs3Axiv 147.54 (4)
O11—Cs2—O21iii 81.88 (8) O12—Si4—O13 113.92 (17)
O20—Cs2—O21iii 121.19 (8) O12—Si4—O10 110.94 (17)
O17—Cs2—O21iii 96.07 (7) O13—Si4—O10 104.91 (17)
O14vi—Cs2—O21iii 92.39 (8) O12—Si4—O14xii 112.47 (17)
O4—Cs2—O21iii 164.18 (7) O13—Si4—O14xii 107.67 (17)
O17iii—Cs2—O21iii 72.97 (8) O10—Si4—O14xii 106.39 (17)
O20iii—Cs2—O21iii 46.12 (7) O12—Si4—Cs2 56.81 (11)
O12—Cs2—O21iii 71.33 (8) O13—Si4—Cs2 94.11 (11)
O11—Cs2—O10 44.74 (7) O10—Si4—Cs2 65.92 (11)
O20—Cs2—O10 173.27 (8) O14xii—Si4—Cs2 158.21 (14)
O17—Cs2—O10 95.59 (7) O12—Si4—Cs1iii 97.51 (13)
O14vi—Cs2—O10 91.21 (7) O13—Si4—Cs1iii 146.31 (11)
O4—Cs2—O10 104.34 (7) O10—Si4—Cs1iii 49.59 (12)
O17iii—Cs2—O10 133.00 (7) O14xii—Si4—Cs1iii 68.28 (12)
O20iii—Cs2—O10 78.73 (7) Cs2—Si4—Cs1iii 93.20 (2)
O12—Cs2—O10 43.92 (6) O12—Si4—Cs2ix 75.01 (11)
O21iii—Cs2—O10 64.29 (8) O13—Si4—Cs2ix 102.93 (11)
O11—Cs2—O18iii 75.42 (8) O10—Si4—Cs2ix 145.47 (12)
O20—Cs2—O18iii 93.42 (7) O14xii—Si4—Cs2ix 44.83 (11)
O17—Cs2—O18iii 129.03 (8) Cs2—Si4—Cs2ix 131.69 (3)
O14vi—Cs2—O18iii 57.05 (8) Cs1iii—Si4—Cs2ix 96.43 (2)
O4—Cs2—O18iii 153.40 (7) O15—Si5—O9 111.40 (18)
O17iii—Cs2—O18iii 44.71 (7) O15—Si5—O11xii 110.88 (16)
O20iii—Cs2—O18iii 81.50 (7) O9—Si5—O11xii 107.93 (19)
O12—Cs2—O18iii 112.20 (7) O15—Si5—O14 111.96 (18)
O21iii—Cs2—O18iii 41.79 (7) O9—Si5—O14 110.00 (18)
O10—Cs2—O18iii 88.92 (6) O11xii—Si5—O14 104.38 (16)
O11—Cs2—Cs2iii 160.41 (6) O15—Si5—Cs2xii 122.11 (13)
O20—Cs2—Cs2iii 54.87 (6) O9—Si5—Cs2xii 126.10 (14)
O17—Cs2—Cs2iii 54.48 (6) O11xii—Si5—Cs2xii 48.26 (11)
O14vi—Cs2—Cs2iii 123.98 (6) O14—Si5—Cs2xii 56.37 (11)
O4—Cs2—Cs2iii 101.49 (5) O15—Si5—Cs3Bviii 39.9 (2)
O17iii—Cs2—Cs2iii 53.35 (5) O9—Si5—Cs3Bviii 76.6 (2)
O20iii—Cs2—Cs2iii 52.98 (5) O11xii—Si5—Cs3Bviii 143.06 (18)
O12—Cs2—Cs2iii 95.13 (5) O14—Si5—Cs3Bviii 108.28 (16)
O21iii—Cs2—Cs2iii 80.72 (5) Cs2xii—Si5—Cs3Bviii 154.58 (17)
O10—Cs2—Cs2iii 131.69 (5) O15—Si5—Cs1xv 47.65 (11)
O18iii—Cs2—Cs2iii 85.59 (5) O9—Si5—Cs1xv 121.39 (14)
O1—Cs3A—O8vii 112.49 (8) O11xii—Si5—Cs1xv 130.40 (13)
O1—Cs3A—O4viii 131.83 (8) O14—Si5—Cs1xv 64.99 (13)
O8vii—Cs3A—O4viii 115.45 (8) Cs2xii—Si5—Cs1xv 100.22 (3)
O1—Cs3A—O5ix 91.53 (8) Cs3Bviii—Si5—Cs1xv 54.65 (16)
O8vii—Cs3A—O5ix 51.50 (8) O16—Si6—O13 112.41 (16)
O4viii—Cs3A—O5ix 122.05 (8) O16—Si6—O3 109.44 (18)
O1—Cs3A—O15viii 51.50 (8) O13—Si6—O3 106.76 (18)
O8vii—Cs3A—O15viii 89.11 (8) O16—Si6—O6ix 113.01 (18)
O4viii—Cs3A—O15viii 124.22 (9) O13—Si6—O6ix 107.14 (17)
O5ix—Cs3A—O15viii 112.54 (8) O3—Si6—O6ix 107.78 (18)
O1—Cs3A—O16 74.06 (8) O16—Si6—Cs3Bviii 59.0 (2)
O8vii—Cs3A—O16 126.48 (9) O13—Si6—Cs3Bviii 87.2 (3)
O4viii—Cs3A—O16 81.50 (8) O3—Si6—Cs3Bviii 67.37 (17)
O5ix—Cs3A—O16 75.98 (8) O6ix—Si6—Cs3Bviii 165.6 (3)
O15viii—Cs3A—O16 124.23 (8) O16—Si6—Cs3Aviii 55.21 (12)
O1—Cs3A—O6viii 166.14 (10) O13—Si6—Cs3Aviii 94.08 (11)
O8vii—Cs3A—O6viii 72.76 (8) O3—Si6—Cs3Aviii 65.97 (13)
O4viii—Cs3A—O6viii 46.33 (7) O6ix—Si6—Cs3Aviii 158.73 (13)
O5ix—Cs3A—O6viii 81.91 (8) Cs3Bviii—Si6—Cs3Aviii 6.9 (2)
O15viii—Cs3A—O6viii 142.36 (10) O16—Si6—Cs3A 49.66 (11)
O16—Cs3A—O6viii 92.45 (8) O13—Si6—Cs3A 161.93 (12)
O1—Cs3A—O16viii 50.82 (8) O3—Si6—Cs3A 81.01 (14)
O8vii—Cs3A—O16viii 141.13 (8) O6ix—Si6—Cs3A 85.16 (13)
O4viii—Cs3A—O16viii 87.21 (7) Cs3Bviii—Si6—Cs3A 80.7 (3)
O5ix—Cs3A—O16viii 141.80 (8) Cs3Aviii—Si6—Cs3A 73.88 (3)
O15viii—Cs3A—O16viii 52.43 (7) O16—Si6—Cs3Bxvi 78.5 (2)
O16—Cs3A—O16viii 86.00 (8) O13—Si6—Cs3Bxvi 95.3 (3)
O6viii—Cs3A—O16viii 132.99 (8) O3—Si6—Cs3Bxvi 150.6 (2)
O1—Cs3A—Si2viii 143.72 (7) O6ix—Si6—Cs3Bxvi 45.60 (15)
O8vii—Cs3A—Si2viii 99.10 (6) Cs3Bviii—Si6—Cs3Bxvi 134.4 (2)
O4viii—Cs3A—Si2viii 27.34 (5) Cs3Aviii—Si6—Cs3Bxvi 132.72 (14)
O5ix—Cs3A—Si2viii 94.72 (6) Cs3A—Si6—Cs3Bxvi 83.8 (2)
O15viii—Cs3A—Si2viii 150.05 (8) O16—Si6—Cs3Axvi 74.65 (12)
O16—Cs3A—Si2viii 72.93 (6) O13—Si6—Cs3Axvi 101.69 (12)
O6viii—Cs3A—Si2viii 26.72 (5) O3—Si6—Cs3Axvi 146.41 (14)
O16viii—Cs3A—Si2viii 111.97 (5) O6ix—Si6—Cs3Axvi 45.44 (12)
O1—Cs3A—O5viii 122.52 (9) Cs3Bviii—Si6—Cs3Axvi 132.32 (15)
O8vii—Cs3A—O5viii 106.15 (7) Cs3Aviii—Si6—Cs3Axvi 129.68 (4)
O4viii—Cs3A—O5viii 45.90 (7) Cs3A—Si6—Cs3Axvi 77.24 (3)
O5ix—Cs3A—O5viii 80.67 (8) Cs3Bxvi—Si6—Cs3Axvi 6.6 (2)
O15viii—Cs3A—O5viii 164.32 (7) O17—Si7—O18 115.08 (18)
O16—Cs3A—O5viii 48.69 (8) O17—Si7—O2 112.90 (17)
O6viii—Cs3A—O5viii 44.49 (7) O18—Si7—O2 106.40 (17)
O16viii—Cs3A—O5viii 111.99 (7) O17—Si7—O19ix 110.79 (16)
Si2viii—Cs3A—O5viii 25.63 (6) O18—Si7—O19ix 104.08 (15)
O1—Cs3A—O3viii 92.49 (8) O2—Si7—O19ix 106.91 (18)
O8vii—Cs3A—O3viii 143.14 (10) O17—Si7—Cs1ix 124.89 (13)
O4viii—Cs3A—O3viii 43.96 (7) O18—Si7—Cs1ix 57.65 (11)
O5ix—Cs3A—O3viii 158.91 (8) O2—Si7—Cs1ix 121.55 (13)
O15viii—Cs3A—O3viii 85.90 (7) O19ix—Si7—Cs1ix 46.64 (10)
O16—Cs3A—O3viii 85.25 (8) O17—Si7—Cs2iii 49.62 (12)
O6viii—Cs3A—O3viii 89.48 (7) O18—Si7—Cs2iii 66.05 (12)
O16viii—Cs3A—O3viii 43.53 (7) O2—Si7—Cs2iii 121.72 (13)
Si2viii—Cs3A—O3viii 70.25 (5) O19ix—Si7—Cs2iii 131.32 (13)
O5viii—Cs3A—O3viii 79.71 (7) Cs1ix—Si7—Cs2iii 102.84 (3)
O1—Cs3A—Cs1xiii 55.38 (6) O20—Si8—O21 111.19 (18)
O8vii—Cs3A—Cs1xiii 57.17 (6) O20—Si8—O7 112.06 (18)
O4viii—Cs3A—Cs1xiii 172.38 (6) O21—Si8—O7 110.13 (18)
O5ix—Cs3A—Cs1xiii 55.98 (5) O20—Si8—O19 112.18 (16)
O15viii—Cs3A—Cs1xiii 56.64 (6) O21—Si8—O19 106.10 (17)
O16—Cs3A—Cs1xiii 104.31 (6) O7—Si8—O19 104.83 (18)
O6viii—Cs3A—Cs1xiii 127.54 (5) O20—Si8—Cs1 125.41 (13)
O16viii—Cs3A—Cs1xiii 98.01 (5) O21—Si8—Cs1 64.70 (12)
Si2viii—Cs3A—Cs1xiii 149.39 (3) O7—Si8—Cs1 120.29 (13)
O5viii—Cs3A—Cs1xiii 135.18 (6) O19—Si8—Cs1 41.45 (10)
O3viii—Cs3A—Cs1xiii 140.35 (5) O20—Si8—Cs2iii 53.68 (12)
O15viii—Cs3B—O8vii 96.1 (3) O21—Si8—Cs2iii 57.85 (13)
O15viii—Cs3B—O4viii 133.3 (4) O7—Si8—Cs2iii 134.84 (13)
O8vii—Cs3B—O4viii 120.4 (3) O19—Si8—Cs2iii 120.30 (13)
O15viii—Cs3B—O6viii 158.8 (6) Cs1—Si8—Cs2iii 94.85 (3)
O8vii—Cs3B—O6viii 74.9 (2) O20—Si8—Cs1iv 141.77 (13)
O4viii—Cs3B—O6viii 46.66 (13) O21—Si8—Cs1iv 105.59 (14)
O15viii—Cs3B—O1 51.35 (16) O7—Si8—Cs1iv 42.51 (12)
O8vii—Cs3B—O1 110.8 (3) O19—Si8—Cs1iv 65.46 (12)
O4viii—Cs3B—O1 125.0 (4) Cs1—Si8—Cs1iv 79.75 (2)
O6viii—Cs3B—O1 149.8 (6) Cs2iii—Si8—Cs1iv 162.95 (3)
O15viii—Cs3B—O16viii 54.21 (15) O20—Si8—Cs2 39.22 (11)
O8vii—Cs3B—O16viii 150.0 (3) O21—Si8—Cs2 94.95 (13)
O4viii—Cs3B—O16viii 87.7 (2) O7—Si8—Cs2 86.44 (12)
O6viii—Cs3B—O16viii 134.3 (3) O19—Si8—Cs2 150.46 (11)
O1—Cs3B—O16viii 49.38 (16) Cs1—Si8—Cs2 150.06 (4)
O15viii—Cs3B—O5ix 111.0 (2) Cs2iii—Si8—Cs2 55.205 (18)
O8vii—Cs3B—O5ix 49.88 (16) Cs1iv—Si8—Cs2 128.74 (3)
O4viii—Cs3B—O5ix 114.6 (4) O22—Si9—O23 113.21 (14)
O6viii—Cs3B—O5ix 78.3 (2) O22—Si9—O21 109.52 (18)
O1—Cs3B—O5ix 83.6 (3) O23—Si9—O21 108.63 (19)
O16viii—Cs3B—O5ix 130.7 (5) O22—Si9—O18 111.34 (17)
O15viii—Cs3B—O3viii 90.6 (2) O23—Si9—O18 109.4 (2)
O8vii—Cs3B—O3viii 157.1 (5) O21—Si9—O18 104.29 (17)
O4viii—Cs3B—O3viii 44.73 (12) O22—Si9—Cs1 54.89 (11)
O6viii—Cs3B—O3viii 91.09 (19) O23—Si9—Cs1 98.43 (16)
O1—Cs3B—O3viii 90.5 (2) O21—Si9—Cs1 65.20 (12)
O16viii—Cs3B—O3viii 44.18 (12) O18—Si9—Cs1 152.14 (13)
O5ix—Cs3B—O3viii 145.7 (5) O22—Si9—Cs2iii 95.56 (13)
O15viii—Cs3B—Si2viii 159.9 (3) O23—Si9—Cs2iii 150.37 (5)
O8vii—Cs3B—Si2viii 99.9 (2) O21—Si9—Cs2iii 51.79 (13)
O4viii—Cs3B—Si2viii 26.56 (9) O18—Si9—Cs2iii 63.31 (12)
O6viii—Cs3B—Si2viii 26.10 (8) Cs1—Si9—Cs2iii 92.24 (2)
O1—Cs3B—Si2viii 131.0 (5) O22—Si9—Cs1ix 78.16 (11)
O16viii—Cs3B—Si2viii 110.0 (2) O23—Si9—Cs1ix 97.46 (16)
O5ix—Cs3B—Si2viii 88.7 (3) O21—Si9—Cs1ix 145.97 (13)
O3viii—Cs3B—Si2viii 70.04 (14) O18—Si9—Cs1ix 44.82 (11)
O15viii—Cs3B—O16 116.2 (4) Cs1—Si9—Cs1ix 132.96 (3)
O8vii—Cs3B—O16 116.1 (4) Cs2iii—Si9—Cs1ix 95.20 (2)
O4viii—Cs3B—O16 74.8 (3) Si1—O1—Sn1xvii 131.57 (17)
O6viii—Cs3B—O16 84.9 (3) Si1—O1—Cs3A 125.27 (15)
O1—Cs3B—O16 65.8 (3) Sn1xvii—O1—Cs3A 100.12 (12)
O16viii—Cs3B—O16 79.0 (3) Si1—O1—Cs1xiii 101.85 (14)
O5ix—Cs3B—O16 67.0 (3) Sn1xvii—O1—Cs1xiii 108.13 (12)
O3viii—Cs3B—O16 79.8 (3) Cs3A—O1—Cs1xiii 71.91 (6)
Si2viii—Cs3B—O16 66.8 (2) Si1—O1—Cs3B 133.0 (3)
O15viii—Cs3B—Cs1xiii 57.45 (14) Sn1xvii—O1—Cs3B 93.2 (3)
O8vii—Cs3B—Cs1xiii 57.53 (14) Cs3A—O1—Cs3B 7.9 (2)
O4viii—Cs3B—Cs1xiii 167.5 (5) Cs1xiii—O1—Cs3B 70.34 (15)
O6viii—Cs3B—Cs1xiii 126.7 (3) Si1—O1—Cs3Aviii 76.02 (12)
O1—Cs3B—Cs1xiii 53.63 (14) Sn1xvii—O1—Cs3Aviii 90.90 (10)
O16viii—Cs3B—Cs1xiii 97.3 (2) Cs3A—O1—Cs3Aviii 88.33 (8)
O5ix—Cs3B—Cs1xiii 53.71 (15) Cs1xiii—O1—Cs3Aviii 154.40 (9)
O3viii—Cs3B—Cs1xiii 141.5 (3) Cs3B—O1—Cs3Aviii 92.2 (2)
Si2viii—Cs3B—Cs1xiii 142.4 (4) Si1—O2—Si7 144.3 (2)
O16—Cs3B—Cs1xiii 94.8 (4) Si1—O2—Cs1xiii 90.29 (14)
O15viii—Cs3B—Si1viii 114.8 (2) Si7—O2—Cs1xiii 112.69 (15)
O8vii—Cs3B—Si1viii 145.5 (3) Si1—O3—Si6 159.1 (3)
O4viii—Cs3B—Si1viii 25.25 (8) Si1—O3—Cs3Bviii 85.1 (2)
O6viii—Cs3B—Si1viii 70.77 (15) Si6—O3—Cs3Bviii 88.02 (19)
O1—Cs3B—Si1viii 100.8 (3) Si1—O3—Cs3Aviii 80.57 (13)
O16viii—Cs3B—Si1viii 63.64 (15) Si6—O3—Cs3Aviii 90.22 (14)
O5ix—Cs3B—Si1viii 123.9 (4) Cs3Bviii—O3—Cs3Aviii 7.7 (3)
O3viii—Cs3B—Si1viii 24.92 (7) Si1—O4—Si2 129.51 (19)
Si2viii—Cs3B—Si1viii 46.82 (10) Si1—O4—Cs3Bviii 98.7 (2)
O16—Cs3B—Si1viii 64.7 (2) Si2—O4—Cs3Bviii 93.4 (2)
Cs1xiii—Cs3B—Si1viii 153.4 (4) Si1—O4—Cs3Aviii 95.66 (14)
O8—Sn1—O22iii 89.80 (12) Si2—O4—Cs3Aviii 89.04 (13)
O8—Sn1—O1x 177.68 (12) Cs3Bviii—O4—Cs3Aviii 8.8 (3)
O22iii—Sn1—O1x 92.32 (13) Si1—O4—Cs2 112.55 (14)
O8—Sn1—O15vi 95.43 (12) Si2—O4—Cs2 114.54 (14)
O22iii—Sn1—O15vi 92.48 (12) Cs3Bviii—O4—Cs2 96.3 (3)
O1x—Sn1—O15vi 85.41 (12) Cs3Aviii—O4—Cs2 105.03 (9)
O8—Sn1—O16vi 91.37 (12) Si2—O5—Sn1xvii 130.27 (17)
O22iii—Sn1—O16vi 176.09 (13) Si2—O5—Cs3Aii 123.44 (14)
O1x—Sn1—O16vi 86.45 (12) Sn1xvii—O5—Cs3Aii 106.29 (13)
O15vi—Sn1—O16vi 91.12 (12) Si2—O5—Cs1iv 99.16 (13)
O8—Sn1—O5x 86.35 (12) Sn1xvii—O5—Cs1iv 97.58 (10)
O22iii—Sn1—O5x 88.07 (12) Cs3Aii—O5—Cs1iv 69.96 (6)
O1x—Sn1—O5x 92.80 (12) Si2—O5—Cs3Bii 129.9 (3)
O15vi—Sn1—O5x 178.14 (12) Sn1xvii—O5—Cs3Bii 99.8 (3)
O16vi—Sn1—O5x 88.28 (12) Cs3Aii—O5—Cs3Bii 7.0 (2)
O8—Sn1—Cs3Bx 122.9 (3) Cs1iv—O5—Cs3Bii 67.68 (14)
O22iii—Sn1—Cs3Bx 125.41 (13) Si2—O5—Cs3Aviii 76.70 (12)
O1x—Sn1—Cs3Bx 56.3 (3) Sn1xvii—O5—Cs3Aviii 96.58 (10)
O15vi—Sn1—Cs3Bx 47.0 (2) Cs3Aii—O5—Cs3Aviii 99.33 (8)
O16vi—Sn1—Cs3Bx 56.66 (14) Cs1iv—O5—Cs3Aviii 164.22 (9)
O5x—Sn1—Cs3Bx 131.4 (2) Cs3Bii—O5—Cs3Aviii 103.00 (19)
O8—Sn1—Cs3Ax 129.10 (9) Si2—O6—Si6ii 145.3 (2)
O22iii—Sn1—Cs3Ax 125.11 (8) Si2—O6—Cs3Bviii 89.6 (2)
O1x—Sn1—Cs3Ax 49.99 (9) Si6ii—O6—Cs3Bviii 113.8 (2)
O15vi—Sn1—Cs3Ax 52.78 (8) Si2—O6—Cs3Aviii 85.23 (13)
O16vi—Sn1—Cs3Ax 56.45 (9) Si6ii—O6—Cs3Aviii 114.18 (15)
O5x—Sn1—Cs3Ax 125.54 (8) Cs3Bviii—O6—Cs3Aviii 8.5 (3)
Cs3Bx—Sn1—Cs3Ax 7.0 (2) Si2—O7—Si8 142.1 (2)
O8—Sn1—Cs1iii 54.30 (9) Si2—O7—Cs1iv 98.93 (15)
O22iii—Sn1—Cs1iii 53.05 (8) Si8—O7—Cs1iv 118.02 (15)
O1x—Sn1—Cs1iii 126.61 (9) Si3—O8—Sn1 128.90 (17)
O15vi—Sn1—Cs1iii 128.78 (8) Si3—O8—Cs3Bxiv 115.3 (3)
O16vi—Sn1—Cs1iii 125.17 (9) Sn1—O8—Cs3Bxiv 115.8 (3)
O5x—Sn1—Cs1iii 52.84 (8) Si3—O8—Cs3Axiv 123.52 (15)
Cs3Bx—Sn1—Cs1iii 175.7 (2) Sn1—O8—Cs3Axiv 107.58 (12)
Cs3Ax—Sn1—Cs1iii 176.60 (2) Cs3Bxiv—O8—Cs3Axiv 8.6 (3)
O8—Sn1—Cs3Axiv 45.47 (8) Si3—O8—Cs1iii 101.09 (13)
O22iii—Sn1—Cs3Axiv 106.03 (8) Sn1—O8—Cs1iii 96.22 (12)
O1x—Sn1—Cs3Axiv 132.83 (9) Cs3Bxiv—O8—Cs1iii 72.34 (19)
O15vi—Sn1—Cs3Axiv 135.00 (9) Cs3Axiv—O8—Cs1iii 69.61 (6)
O16vi—Sn1—Cs3Axiv 72.31 (9) Si3—O9—Si5 175.2 (3)
O5x—Sn1—Cs3Axiv 46.38 (9) Si4—O10—Si3 143.6 (2)
Cs3Bx—Sn1—Cs3Axiv 128.32 (11) Si4—O10—Cs1iii 108.30 (14)
Cs3Ax—Sn1—Cs3Axiv 128.760 (13) Si3—O10—Cs1iii 103.11 (14)
Cs1iii—Sn1—Cs3Axiv 52.982 (8) Si4—O10—Cs2 90.03 (13)
O8—Sn1—Cs1xi 136.49 (8) Si3—O10—Cs2 92.47 (13)
O22iii—Sn1—Cs1xi 72.06 (8) Cs1iii—O10—Cs2 115.94 (9)
O1x—Sn1—Cs1xi 45.31 (8) Si5vi—O11—Si3 130.59 (18)
O15vi—Sn1—Cs1xi 48.21 (9) Si5vi—O11—Cs2 108.23 (14)
O16vi—Sn1—Cs1xi 109.41 (9) Si3—O11—Cs2 116.67 (14)
O5x—Sn1—Cs1xi 130.44 (9) Si4—O12—Sn2ix 164.45 (19)
Cs3Bx—Sn1—Cs1xi 53.90 (11) Si4—O12—Cs2 100.26 (13)
Cs3Ax—Sn1—Cs1xi 53.058 (9) Sn2ix—O12—Cs2 94.97 (10)
Cs1iii—Sn1—Cs1xi 125.031 (10) Si6—O13—Si4 138.7 (2)
Cs3Axiv—Sn1—Cs1xi 176.69 (2) Si5—O14—Si4vi 139.6 (2)
O8—Sn1—Cs3Avi 116.76 (8) Si5—O14—Cs2xii 99.13 (13)
O22iii—Sn1—Cs3Avi 130.18 (9) Si4vi—O14—Cs2xii 114.59 (14)
O1x—Sn1—Cs3Avi 61.07 (9) Si5—O14—Cs1xv 92.19 (14)
O15vi—Sn1—Cs3Avi 123.03 (8) Si4vi—O14—Cs1xv 88.28 (13)
O16vi—Sn1—Cs3Avi 46.12 (9) Cs2xii—O14—Cs1xv 122.15 (10)
O5x—Sn1—Cs3Avi 55.46 (8) Si5—O15—Sn1xii 129.25 (17)
Cs3Bx—Sn1—Cs3Avi 76.1 (2) Si5—O15—Cs3Bviii 120.2 (4)
Cs3Ax—Sn1—Cs3Avi 70.79 (2) Sn1xii—O15—Cs3Bviii 103.3 (3)
Cs1iii—Sn1—Cs3Avi 108.007 (10) Si5—O15—Cs3Aviii 128.03 (16)
Cs3Axiv—Sn1—Cs3Avi 74.36 (3) Sn1xii—O15—Cs3Aviii 97.02 (10)
Cs1xi—Sn1—Cs3Avi 104.687 (12) Cs3Bviii—O15—Cs3Aviii 8.1 (3)
O12iii—Sn2—O12ii 180.00 (18) Si5—O15—Cs1xv 111.68 (14)
O12iii—Sn2—O20 88.36 (12) Sn1xii—O15—Cs1xv 104.69 (12)
O12ii—Sn2—O20 91.64 (12) Cs3Bviii—O15—Cs1xv 73.1 (2)
O12iii—Sn2—O20xi 91.64 (12) Cs3Aviii—O15—Cs1xv 69.45 (6)
O12ii—Sn2—O20xi 88.36 (12) Si6—O16—Sn1xii 139.84 (18)
O20—Sn2—O20xi 180.0 Si6—O16—Cs3A 108.61 (13)
O12iii—Sn2—O17iii 90.26 (12) Sn1xii—O16—Cs3A 107.16 (12)
O12ii—Sn2—O17iii 89.74 (12) Si6—O16—Cs3Bviii 97.1 (3)
O20—Sn2—O17iii 85.77 (12) Sn1xii—O16—Cs3Bviii 92.74 (16)
O20xi—Sn2—O17iii 94.23 (12) Cs3A—O16—Cs3Bviii 102.1 (3)
O12iii—Sn2—O17ii 89.74 (12) Si6—O16—Cs3Aviii 101.94 (14)
O12ii—Sn2—O17ii 90.26 (12) Sn1xii—O16—Cs3Aviii 93.15 (10)
O20—Sn2—O17ii 94.23 (12) Cs3A—O16—Cs3Aviii 94.00 (8)
O20xi—Sn2—O17ii 85.77 (12) Cs3Bviii—O16—Cs3Aviii 8.4 (3)
O17iii—Sn2—O17ii 180.00 (18) Si6—O16—Cs3B 110.77 (18)
O12iii—Sn2—Cs2iii 55.33 (8) Sn1xii—O16—Cs3B 105.33 (17)
O12ii—Sn2—Cs2iii 124.67 (8) Cs3A—O16—Cs3B 2.28 (13)
O20—Sn2—Cs2iii 53.35 (9) Cs3Bviii—O16—Cs3B 101.0 (3)
O20xi—Sn2—Cs2iii 126.65 (9) Cs3Aviii—O16—Cs3B 92.79 (14)
O17iii—Sn2—Cs2iii 51.61 (8) Si7—O17—Sn2ix 130.26 (17)
O17ii—Sn2—Cs2iii 128.39 (8) Si7—O17—Cs2 125.86 (15)
O12iii—Sn2—Cs2ii 124.67 (8) Sn2ix—O17—Cs2 98.65 (10)
O12ii—Sn2—Cs2ii 55.33 (8) Si7—O17—Cs2iii 108.81 (14)
O20—Sn2—Cs2ii 126.65 (9) Sn2ix—O17—Cs2iii 104.82 (12)
O20xi—Sn2—Cs2ii 53.35 (9) Cs2—O17—Cs2iii 72.17 (6)
O17iii—Sn2—Cs2ii 128.39 (8) Si7—O18—Si9 137.1 (2)
O17ii—Sn2—Cs2ii 51.61 (8) Si7—O18—Cs1ix 97.47 (13)
Cs2iii—Sn2—Cs2ii 180.0 Si9—O18—Cs1ix 114.47 (14)
O12iii—Sn2—Cs2 109.74 (8) Si7—O18—Cs2iii 90.66 (13)
O12ii—Sn2—Cs2 70.26 (8) Si9—O18—Cs2iii 93.76 (13)
O20—Sn2—Cs2 45.77 (8) Cs1ix—O18—Cs2iii 124.26 (10)
O20xi—Sn2—Cs2 134.23 (8) Si8—O19—Si7ii 129.52 (18)
O17iii—Sn2—Cs2 47.71 (9) Si8—O19—Cs1 117.12 (14)
O17ii—Sn2—Cs2 132.29 (9) Si7ii—O19—Cs1 109.67 (13)
Cs2iii—Sn2—Cs2 54.535 (8) Si8—O20—Sn2 129.48 (17)
Cs2ii—Sn2—Cs2 125.465 (8) Si8—O20—Cs2 122.70 (15)
O12iii—Sn2—Cs2xi 70.26 (8) Sn2—O20—Cs2 107.37 (11)
O12ii—Sn2—Cs2xi 109.74 (8) Si8—O20—Cs2iii 103.61 (14)
O20—Sn2—Cs2xi 134.23 (8) Sn2—O20—Cs2iii 97.05 (12)
O20xi—Sn2—Cs2xi 45.77 (8) Cs2—O20—Cs2iii 72.15 (6)
O17iii—Sn2—Cs2xi 132.29 (9) Si8—O21—Si9 151.9 (3)
O17ii—Sn2—Cs2xi 47.71 (9) Si8—O21—Cs2iii 98.65 (14)
Cs2iii—Sn2—Cs2xi 125.466 (8) Si9—O21—Cs2iii 106.27 (15)
Cs2ii—Sn2—Cs2xi 54.534 (8) Si8—O21—Cs1 91.31 (13)
Cs2—Sn2—Cs2xi 180.0 Si9—O21—Cs1 90.47 (13)
O1—Si1—O2 110.44 (18) Cs2iii—O21—Cs1 113.55 (10)
O1—Si1—O3 111.15 (18) Si9—O22—Sn1iii 160.20 (19)
O2—Si1—O3 108.86 (18) Si9—O22—Cs1 102.17 (14)
O1—Si1—O4 111.33 (16) Sn1iii—O22—Cs1 97.49 (10)
O2—Si1—O4 108.37 (18) Si9iv—O23—Si9 179.5 (3)
O3—Si1—O4 106.57 (18)

Symmetry codes: (i) −x+1, y+1, −z+1/2; (ii) x, y+1, z; (iii) −x+1, −y−1, −z; (iv) −x+1, y, −z+1/2; (v) x−1/2, −y−1/2, z; (vi) −x+3/2, y+1/2, −z; (vii) x, −y−2, z+1/2; (viii) −x+3/2, −y−3/2, −z+1/2; (ix) x, y−1, z; (x) x, −y−1, z−1/2; (xi) −x+1, −y, −z; (xii) −x+3/2, y−1/2, −z; (xiii) −x+1, y−1, −z+1/2; (xiv) x, −y−2, z−1/2; (xv) x+1/2, −y−1/2, z; (xvi) −x+3/2, −y−5/2, −z+1/2; (xvii) x, −y−1, z+1/2.

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) I. DOI: 10.1107/S2056989021013554/pk2660sup1.cif

e-78-00111-sup1.cif (1.7MB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989021013554/pk2660Isup2.hkl

e-78-00111-Isup2.hkl (658KB, hkl)

CCDC reference: 2130669

Additional supporting information: crystallographic information; 3D view; checkCIF report


Articles from Acta Crystallographica Section E: Crystallographic Communications are provided here courtesy of International Union of Crystallography

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