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

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

Crystal structure of chain silicate Cs3LuSi3O9

crossmark logo

aInorganic Materials Laboratory, Science & Innovation Center, Mitsubishi Chemical Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama-shi, Kanagawa, 227-8502, Japan, and bInstitute of Multidisciplinary Research for Advanced Material, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi, 980-8577, Japan
*Correspondence e-mail: hisanori.yamane.a1@tohoku.ac.jp

Edited by A. M. Chippindale, University of Reading, England (Received 18 October 2021; accepted 29 October 2021; online 4 November 2021)

A caesium lutetium(III) silicate, Cs3LuSi3O9, was synthesized by heating a pelletized mixture of Cs2CO3, Lu2O3 and SiO2 at 1273 K. Single crystals of the title compound were grown in a melted area of the pellet. Cs3LuSi3O9 is a single-chain silicate (ortho­rhom­bic space group Pna21) with a chain periodicity of six and is isostructural with Cs3REIIIGe3O9 (RE = Pr, Nd and Sm–Yb). The two symmetry-dependent [Si6O18]12− chains in the unit cell lie parallel to the [011] direction. The Lu3+ ions are octa­hedrally coordinated by O atoms of the silicate chains, generating a three-dimensional framework. Cs+ ions are located in the voids in the framework.

1. Chemical context

A lutetium(III) silicate, Lu2SiO5, containing the highest atomic weight rare-earth element, has been studied as the host crystal of a scintillator for radiation detection (Dorenbos et al., 1994[Dorenbos, P., van Eijk, C. W. E., Bos, A. J. J. & Melcher, C. L. (1994). J. Lumin. 60-61, 979-982.]; Melcher & Schweitzer, 1992[Melcher, C. L. & Schweitzer, J. S. (1992). IEEE Trans. Nucl. Sci. 39, 502-505.]). Our research group recently reported the syntheses and crystal structures of a new oxide and oxynitride containing Lu; namely, Lu4Al2O9 (Simura & Yamane, 2020a[Simura, R. & Yamane, H. (2020a). Acta Cryst. E76, 752-755.]) and Ba0.9Ce0.1LuAl0.2Si3.8N6.9O0.1 (Simura & Yamane, 2020b[Simura, R. & Yamane, H. (2020b). Acta Cryst. E76, 1708-1711.]). In the present study, a new quaternary single-chain silicate, Cs3LuSi3O9, was found during an exploratory study of the Cs–Lu–Si–O system. In other quaternary silicate systems containing alkali-metal (A) and rare-earth (RE) elements, a number of single-chain silicates have recently been reported: LiScSi2O6 (space groups C2/c, P21/c; Arlt & Angel, 2000[Arlt, T. & Angel, R. J. (2000). Phys. Chem. Miner. 27, 719-731.]; Redhammer & Roth, 2004[Redhammer, G. J. & Roth, G. (2004). Z. Krist. Cryst. Mater. 219, 585-605.]), NaYSi2O6 (P21/c; Többens et al., 2005[Többens, D. M., Kahlenberg, V. & Kaindl, R. (2005). Inorg. Chem. 44, 9554-9560.]), NaTbSi2O6 (P21/c; Schäfer et al., 2012[Schäfer, M. C., Zitzer, S. & Schleid, T. (2012). Z. Kristallogr. 227, 476-482.]), Na3YSi3O9 (P212121; Maksimov et al., 1980[Maksimov, B. A., Kalinin, V. R., Merinov, B. V., Ilyukhin, V. V. & Belov, N. V. (1980). Dokl. Akad. Nauk SSSR, 252, 875-879.]), Na3RESi3O9 (RE = Y, Dy, Gd, P212121; Shannon et al., 1980[Shannon, R. D., Gier, T. E., Foris, C. M., Nelen, J. A. & Appelman, D. E. (1980). Phys. Chem. Miner. 5, 245-253.]), Na3RESi3O9 (RE = Y, Er, P212121; Ananias et al., 2002[Ananias, D., Rainho, J. P., Ferreira, A., Lopes, M., Morais, C. M., Rocha, J. & Carlos, L. D. (2002). Chem. Mater. 14, 1767-1772.]), Na3TmSi3O9 (P212121; Kahlenberg et al., 2015[Kahlenberg, V., Mörtl, A. & Krüger, H. (2015). Z. Kristallogr. 230, 87-95.]), K3HoSi3O9 (Pm21n; Ponomarev et al., 1988[Ponomarev, V. I., Filipenko, O. S. & Atovmyan, L. O. (1988). Kristallografiya, 33, 98-104.]), K3RESi3O9 (RE = Ho, Tm, Lu, Pm21n; Filipenko et al., 1988[Filipenko, O. S., Ponomarev, V. I., Dimitrova, O.V. & Atovmyan, L. O. (1988). Kristallografiya, 33, 1122-1127.]), K3TbSi3O9 (Pm21n; Kostova et al., 2007[Kostova, M. H., Ananias, D., Paz, F. A. A., Ferreira, A., Rocha, J. & Carlos, L. D. (2007). J. Phys. Chem. B, 111, 3576-3582.]), and K2.9Rb0.1ErSi3O9 (P1; Wierzbicka-Wieczorek et al., 2010[Wierzbicka-Wieczorek, M., Kolitsch, U., Nasdala, L. & Tillmanns, E. (2010). Miner. Mag. 74, 979-990.]). Na+ ion conduction and photoluminescence have been investigated on doping Eu, Tb and Tm into Na3YSi3O9 (Shannon et al., 1980[Shannon, R. D., Gier, T. E., Foris, C. M., Nelen, J. A. & Appelman, D. E. (1980). Phys. Chem. Miner. 5, 245-253.]; Kim et al., 1985[Kim, C. H., Qiu, B. & Banks, E. (1985). J. Electrochem. Soc. 132, 1340-1345.]; Banks & Kim, 1985[Banks, E. & Kim, C. H. (1985). J. Electrochem. Soc. 132, 2617-2621.]; Ananias et al., 2006[Ananias, D., Carlos, L. D. & Rocha, J. (2006). Opt. Mater. 28, 582-586.]; Zhang et al., 2008a[Zhang, Z., Wang, Y., Zhang, J. & Hao, Y. (2008a). Mater. Res. Bull. 43, 926-931.],b[Zhang, Z., Wang, Y. & Zhang, J. (2008b). Mater. Lett. 62, 846-848.]). Photoluminescence properties have also been characterized for Na3ErSi3O9 (Ananias et al., 2002[Ananias, D., Rainho, J. P., Ferreira, A., Lopes, M., Morais, C. M., Rocha, J. & Carlos, L. D. (2002). Chem. Mater. 14, 1767-1772.]) and K3RE Si3O9 (RE = Y, Eu, Tb; Kostova et al., 2007[Kostova, M. H., Ananias, D., Paz, F. A. A., Ferreira, A., Rocha, J. & Carlos, L. D. (2007). J. Phys. Chem. B, 111, 3576-3582.]). A series of germanates with a new structure type, Cs3REIIIGe3O9 (RE = Pr, Nd and Sm-Yb, space group Pna21) have recently been reported (Morrison et al., 2019[Morrison, G., Spagnuolo, N. R., Karakalos, S. G. & Zur Loye, H.-C. (2019). Inorg. Chem. 58, 8702-8709.]). In the present study, we report the synthesis and structural characterization of Cs3LuSi3O9, the first silicate found to be isostructural with the germanates.

2. Structural commentary

Cs3LuSi3O9 is a sechser single-chain silicate, which crystallizes in the ortho­rhom­bic space group, Pna21. The chains of Si1-, Si2- and Si3-centered oxygen tetra­hedra are aligned along the [110] direction (Figs. 1[link] and 2[link]). The period of the SiO4 zigzag chain is Si1–Si2–Si3–Si1–Si2–Si3, and the chain can be described as an unbranched (uB) single chain 11 with a six-[SiO4]-tetra­hedra repeat unit [6Si6O18]: {uB,11}[6Si6O18], in accordance with the classification of Liebau (1985[Liebau, F. (1985). Structural Chemistry of Silicates. Berlin: Springer-Verlag.]). The Si—Obridge bond lengths in the title compound lie in the range 1.650 (4)–1.664 (4) Å, and are slightly longer than the Si—Oterminal bond lengths [in the range 1.594 (4)–1.609 (4) Å; Table 1[link]) and are in agreement with values found in other silicates. The bond-valence sums (BVSs) calculated for Si1, Si2, and Si3 using the bond-valence parameters presented by Gagné & Hawthorne (2015[Gagné, O. C. & Hawthorne, F. C. (2015). Acta Cryst. B71, 562-578.]), are 3.903, 3.966, and 3.948, respectively, which closely match the value of 4 expected for SiIV.

Table 1
Selected bond lengths (Å)

Cs1—O3 2.869 (4) Cs3—O5 3.057 (4)
Cs1—O4i 2.972 (4) Cs3—O4 3.066 (4)
Cs1—O1ii 3.028 (4) Cs3—O3viii 3.335 (5)
Cs1—O8iii 3.069 (4) Cs3—O8 3.354 (4)
Cs1—O2ii 3.074 (5) Cs3—O6 3.599 (5)
Cs1—O7iv 3.485 (4) Cs3—O6ix 3.857 (5)
Cs1—O2v 3.570 (5) Cs3—O7x 3.942 (4)
Cs1—O9iii 4.044 (4) Cs3—O7 4.030 (4)
Cs1—O1i 4.050 (4) Lu1—O3xi 2.203 (4)
Cs1—O6 4.084 (4) Lu1—O2 2.210 (4)
Cs1—O5iii 4.092 (4) Lu1—O9vi 2.212 (4)
Cs1—O7iii 4.156 (4) Lu1—O4 2.236 (4)
Cs1—O6vi 4.354 (4) Lu1—O5 2.247 (4)
Cs2—O2ii 2.980 (4) Lu1—O1 2.255 (4)
Cs2—O9iii 3.095 (4) Si1—O5 1.606 (4)
Cs2—O6 3.130 (4) Si1—O9 1.609 (4)
Cs2—O8 3.143 (4) Si1—O7 1.661 (4)
Cs2—O5iii 3.170 (5) Si1—O6vii 1.662 (4)
Cs2—O7 3.221 (4) Si2—O4iii 1.599 (4)
Cs2—O3vii 3.752 (5) Si2—O2iv 1.605 (4)
Cs2—O1 3.824 (4) Si2—O6 1.650 (4)
Cs2—O4iii 3.926 (4) Si2—O8 1.659 (4)
Cs2—O4i 4.106 (4) Si3—O3vii 1.594 (4)
Cs2—O8vi 4.224 (4) Si3—O1xii 1.608 (4)
Cs2—O9iv 4.228 (4) Si3—O7 1.655 (4)
Cs3—O1 2.936 (4) Si3—O8 1.664 (4)
Cs3—O9iv 2.983 (4)    
Symmetry codes: (i) [-x, -y+1, z+{\script{1\over 2}}]; (ii) [-x, -y, z+{\script{1\over 2}}]; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, z+{\script{1\over 2}}]; (iv) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (v) x, y, z+1; (vi) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z]; (vii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, z-{\script{1\over 2}}]; (viii) [-x, -y+1, z-{\script{1\over 2}}]; (ix) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (x) x, y+1, z; (xi) [x, y, z-1]; (xii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z].
[Figure 1]
Figure 1
Atomic arrangement of Cs3LuSi3O9 shown with displacement ellipsoids at the 99% probability level. [Symmetry codes: (i) −x + [{1\over 2}], y + [{1\over 2}], z + [{1\over 2}]; (ii) −x, −y, z + [{1\over 2}]; (iii) x + [{1\over 2}], −y + [{1\over 2}], z; (iv) x, y, z + 1; (v) −x + [{1\over 2}], y − [{1\over 2}], z + [{1\over 2}]; (vi) −x, 2 − y, z + [{1\over 2}]; (vii) x − [{1\over 2}], −y + [{1\over 2}], z; (viii) x, y + 1, z; (ix) −x + [{1\over 2}], y − [{1\over 2}], z − [{1\over 2}]; (x) −x, 1 − y, z − [{1\over 2}]; (xi) x, y, z − 1].
[Figure 2]
Figure 2
A polyhedral representation of Cs3LuSi3O9 showing the Lu1-centered oxygen octa­hedra (green) and Si-centered oxygen tetra­hedra (blue) linked together to form a 3-D framework with Cs ions (purple) contained in the framework voids.

The angles Si1—Si2—Si3, Si2—Si3—Si1 and Si3—Si1—Si2 in the SiO4-linked zigzag chain in Cs3LuSi3O9 are 133.26 (7), 128.41 (7) and 134.64 (7)°, respectively. These values are larger than the angles observed in K6Lu2Si6O18 (space group Pm21n, Filipenko et al., 1988[Filipenko, O. S., Ponomarev, V. I., Dimitrova, O.V. & Atovmyan, L. O. (1988). Kristallografiya, 33, 1122-1127.]), a sechser single-chain silicate with an Si1–Si2–Si3–Si3–Si2–Si1 sequence (and angles: Si1—Si2—Si3 = 80.45, Si2—Si3—Si3 = 123.65 and Si3—Si3—Si2 = 123.65°), reflecting the difference in ionic size between Cs+ and K+.

Lu1 has sixfold coordination and is located in a distorted O octa­hedron, which connects two SiO4 single chains, as shown in Fig. 2[link]. All the oxygen atoms of the Lu1-based octa­hedron are shared with SiO4 tetra­hedra. The Lu1—O bond distances range from 2.203 (4) to 2.255 (4) Å, and the average distance (2.2282 Å) is in good agreement with the corresponding value reported for K6Lu2Si6O18 (Filipenko et al., 1988[Filipenko, O. S., Ponomarev, V. I., Dimitrova, O.V. & Atovmyan, L. O. (1988). Kristallografiya, 33, 1122-1127.]). A BVS value of 2.939 was obtained, which is close to the valence of 3 expected for LuIII.

The three distinct Cs sites, Cs1, Cs2 and Cs3, are situated in the voids of the three-dimensional framework composed of the silicate single chains connected by the Lu atoms. The Cs1 and Cs2 ions are surrounded by twelve O atoms, while the Cs3 ion is surrounded by ten O atoms. The BVS values for Cs1, Cs2, and Cs3 are 1.084, 0.919, 0.975, respectively [taking Cs—O distances in the range 2.869 (4)–4.228 (4) Å], which are close to the expected value of 1 for the CsI valence. All Cs sites are fully occupied, in contrast to the situation in the isotypic crystal structures of Cs3REIIIGe3O9 (Morrison et al., 2019[Morrison, G., Spagnuolo, N. R., Karakalos, S. G. & Zur Loye, H.-C. (2019). Inorg. Chem. 58, 8702-8709.]). When RE = Pr, Nd and Sm, disorder is observed in all three Cs sites and for the Eu–Yb analogues, disorder is observed in only two of the Cs sites.

The Madelung energy per formula unit for Cs3LuSi3O9, calculated using the structure parameters determined here within the VESTA program (Momma & Izumi, 2011[Momma, K. & Izumi, F. (2011). J. Appl. Cryst. 44, 1272-1276.]), is −57,100 kJ mol−1, which is close to the value of −56,700 kJ mol−1 (difference Δ = 0.6%) calculated from the equation: 3/2Cs2O + 1/2 Lu2O3 + 3SiO2 = Cs3LuSi3O9 using enthalpy values within VESTA of −2,200, −15,600 and −15,200 kJ mol−1 for Cs2O, Lu2O3 and SiO2, respectively, together with crystal-structure data for Cs2O (Tsai et al., 1956[Tsai, K.-R., Harris, P. M. & Lassettre, E. N. (1956). J. Phys. Chem. 60, 338-344.]), Lu2O3 (Saiki et al., 1985[Saiki, A., Ishizawa, N., Mizutani, N. & Kato, M. (1985). Yogyo Kyokaishi 93, 649-654.]) and SiO2 (d'Amour et al., 1979[Amour, H. d', Denner, W. & Schulz, H. (1979). Acta Cryst. B35, 550-555.]). The Madelung potentials for Cs1–Cs3 (−8.7 to −9.2 V), Lu1 (−32.8 V), and Si1–Si3 (−48.0 V) in Cs3LuSi3O9 are in good agreement with those obtained in VESTA for Cs (−9.0 V) in Cs2O, Lu (−31.3, −31.6 V) in Lu2O, and Si (−48.1 V) in SiO2.

3. Synthesis and crystallization

Powders of Cs2CO3 (99.9%, Kojundo Chemical Lab. Co., Ltd.), Lu2O3 (99.999%, Nippon Yttrium Co., Ltd.) and SiO2 (99.999%, Mitsuwa Chemicals Co., Ltd.) were used as starting materials. The Lu2O3 and SiO2 powders were heated at 1273 K for 10 h in air, and stored in an air oven heated at 453 K, while the Cs2CO3 powder was heated at 673 K for 10 h and stored in an Ar-gas-filled glove box prior to use. 0.1955 g of Cs2CO3 powder were weighed in the glove box, and mixed with 0.0796 g of Lu2O3 and 0.00120 g of SiO2 (Cs:Lu:Si molar ratio = 3:1:0.5) in an agate mortar and pestle in air, and then pressed into a 5 mm diameter pellet. The pellet was heated at 1273 K for 3 h on a Pt plate in air, and cooled in the furnace by shutting off the power to the heater. The shape of the pellet was maintained; however, part of the sample had melted and solidified around the pellet on the Pt plate. Colourless transparent prismatic single crystals of around 0.1 mm in length were obtained from the melted part of the pellet. The unmelted part of the pellet consisted of Lu2O3 and Cs3LuSi3O9, which was verified by powder X-ray diffraction using a Bruker AXS, D2 PHASER diffractometer with Cu Kα radiation.

4. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2[link]. Atomic coordinates and site labels were standardized with Structure Tidy (Gelato & Parthé, 1987[Gelato, L. M. & Parthé, E. (1987). J. Appl. Cryst. 20, 139-143.]) implemented in PLATON (Spek, 2020[Spek, A. L. (2020). Acta Cryst. E76, 1-11.]). The crystal structure was refined with consideration of twinning by inversion, which revealed a minor contribution of 3.1 (8)% for the inversion-related twin component.

Table 2
Experimental details

Crystal data
Chemical formula Cs3LuSi3O9
Mr 801.97
Crystal system, space group Orthorhombic, Pna21
Temperature (K) 300
a, b, c (Å) 13.3322 (3), 6.8618 (2), 12.2313 (3)
V3) 1118.95 (5)
Z 4
Radiation type Mo Kα
μ (mm−1) 18.79
Crystal size (mm) 0.09 × 0.05 × 0.03
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2018[Bruker (2018). BIS, APEX3, SAINT and SADABS. Bruker AXS inc., Madison, Wisconsin, USA.])
Tmin, Tmax 0.39, 0.58
No. of measured, independent and observed [I > 2σ(I)] reflections 24311, 3094, 3085
Rint 0.034
(sin θ/λ)max−1) 0.695
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.014, 0.036, 1.11
No. of reflections 3094
No. of parameters 147
No. of restraints 1
Δρmax, Δρmin (e Å−3) 1.87, −1.18
Absolute structure Refined as an inversion twin
Absolute structure parameter 0.031 (8)
Computer programs: BIS, APEX3 and SAINT (Bruker, 2018[Bruker (2018). BIS, APEX3, SAINT and SADABS. Bruker AXS inc., Madison, Wisconsin, USA.]), SHELXT2014/5 (Sheldrick, 2015a[Sheldrick, G. M. (2015a). Acta Cryst. A71, 3-8.]), SHELXL2014/7 (Sheldrick, 2015b[Sheldrick, G. M. (2015b). Acta Cryst. C71, 3-8.]), VESTA (Momma & Izumi, 2011[Momma, K. & Izumi, F. (2011). J. Appl. Cryst. 44, 1272-1276.]) and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supporting information


Computing details top

Data collection: BIS (Bruker, 2018); cell refinement: APEX3 (Bruker, 2018); data reduction: SAINT (Bruker, 2018); program(s) used to solve structure: SHELXT2014/5 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2015b); molecular graphics: VESTA (Momma & Izumi, 2011); software used to prepare material for publication: publCIF (Westrip, 2010).

Tricaesium lutetium trisilicate top
Crystal data top
Cs3LuSi3O9Dx = 4.761 Mg m3
Mr = 801.97Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pna21Cell parameters from 351 reflections
a = 13.3322 (3) Åθ = 3.1–31.4°
b = 6.8618 (2) ŵ = 18.79 mm1
c = 12.2313 (3) ÅT = 300 K
V = 1118.95 (5) Å3Prismatic, translucent colourless
Z = 40.09 × 0.05 × 0.03 mm
F(000) = 1400
Data collection top
Bruker APEXII CCD
diffractometer
3094 independent reflections
Radiation source: micro focus sealed tube3085 reflections with I > 2σ(I)
Detector resolution: 7.3910 pixels mm-1Rint = 0.034
φ and ω scansθmax = 29.6°, θmin = 3.1°
Absorption correction: multi-scan
(SADABS; Bruker, 2018)
h = 1818
Tmin = 0.39, Tmax = 0.58k = 99
24311 measured reflectionsl = 1616
Refinement top
Refinement on F2 w = 1/[σ2(Fo2) + 2.7745P]
where P = (Fo2 + 2Fc2)/3
Least-squares matrix: full(Δ/σ)max < 0.001
R[F2 > 2σ(F2)] = 0.014Δρmax = 1.87 e Å3
wR(F2) = 0.036Δρmin = 1.18 e Å3
S = 1.11Extinction correction: SHELXL2017/1 (Sheldrick 2015b)
3094 reflectionsExtinction coefficient: 0.00160 (14)
147 parametersAbsolute structure: Refined as an inversion twin
1 restraintAbsolute structure parameter: 0.031 (8)
Special details top

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

Refinement. Refined as a two-component inversion twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cs10.06219 (4)0.10542 (6)0.71151 (4)0.02535 (10)
Cs20.16894 (3)0.05816 (7)0.42547 (4)0.02637 (11)
Cs30.17391 (3)0.55846 (6)0.28251 (3)0.02153 (9)
Lu10.04370 (2)0.34863 (3)0.03915 (2)0.00583 (6)
Si10.28028 (11)0.1098 (2)0.08655 (12)0.0070 (2)
Si20.38805 (11)0.3492 (2)0.49763 (13)0.0064 (2)
Si30.41034 (10)0.1056 (2)0.29080 (12)0.0068 (2)
O10.0020 (3)0.3178 (6)0.2170 (3)0.0118 (7)
O20.0386 (3)0.0346 (6)0.0005 (4)0.0113 (7)
O30.0643 (3)0.4213 (6)0.8652 (3)0.0144 (8)
O40.0722 (3)0.6662 (6)0.0659 (3)0.0122 (8)
O50.2041 (3)0.2910 (6)0.0854 (4)0.0133 (8)
O60.2752 (3)0.4080 (5)0.5419 (4)0.0138 (7)
O70.3124 (3)0.0510 (6)0.2136 (3)0.0123 (7)
O80.3669 (3)0.2855 (6)0.3688 (3)0.0099 (7)
O90.3794 (3)0.1463 (6)0.0142 (3)0.0137 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cs10.0370 (2)0.01343 (17)0.0257 (2)0.00434 (16)0.01766 (18)0.00375 (16)
Cs20.02074 (19)0.0252 (2)0.0331 (2)0.00933 (15)0.00863 (16)0.00168 (17)
Cs30.01763 (17)0.0304 (2)0.01654 (17)0.00004 (14)0.00250 (13)0.00726 (16)
Lu10.00583 (9)0.00579 (9)0.00586 (9)0.00008 (6)0.00064 (8)0.00022 (8)
Si10.0049 (6)0.0097 (6)0.0063 (6)0.0004 (5)0.0006 (5)0.0016 (5)
Si20.0071 (6)0.0052 (6)0.0069 (5)0.0001 (4)0.0003 (5)0.0005 (5)
Si30.0076 (6)0.0080 (6)0.0047 (6)0.0004 (5)0.0004 (5)0.0005 (5)
O10.0123 (17)0.0161 (17)0.0070 (16)0.0002 (15)0.0029 (15)0.0011 (15)
O20.0087 (16)0.0064 (16)0.0189 (18)0.0019 (13)0.0002 (15)0.0011 (15)
O30.023 (2)0.0113 (17)0.0088 (18)0.0047 (16)0.0032 (16)0.0011 (15)
O40.020 (2)0.0069 (17)0.0092 (18)0.0002 (14)0.0028 (14)0.0005 (13)
O50.0085 (17)0.0122 (17)0.019 (2)0.0029 (14)0.0036 (14)0.0031 (16)
O60.0117 (16)0.0112 (15)0.0186 (18)0.0005 (13)0.0073 (18)0.007 (2)
O70.0124 (17)0.0167 (19)0.0079 (17)0.0043 (14)0.0009 (14)0.0010 (16)
O80.0121 (16)0.0098 (16)0.0077 (16)0.0056 (14)0.0002 (14)0.0013 (14)
O90.0071 (16)0.026 (2)0.008 (2)0.0012 (15)0.0023 (12)0.0015 (14)
Geometric parameters (Å, º) top
Cs1—O32.869 (4)Cs2—Si1iv4.3209 (16)
Cs1—O4i2.972 (4)Cs2—Lu1iii4.3218 (5)
Cs1—O1ii3.028 (4)Cs2—Si14.4174 (15)
Cs1—O8iii3.069 (4)Cs2—Si3v4.4636 (15)
Cs1—O2ii3.074 (5)Cs3—O12.936 (4)
Cs1—O7iv3.485 (4)Cs3—O9iv2.983 (4)
Cs1—Si2v3.5115 (16)Cs3—O53.057 (4)
Cs1—O2vi3.570 (5)Cs3—O43.066 (4)
Cs1—Si3iii3.5829 (15)Cs3—O3ix3.335 (5)
Cs1—Si3iv3.5852 (15)Cs3—O83.354 (4)
Cs1—Cs3iii3.6383 (6)Cs3—O63.599 (5)
Cs1—Cs23.7909 (7)Cs3—Si3v3.6912 (14)
Cs1—Si2iii3.9722 (16)Cs3—Lu13.7345 (5)
Cs1—Cs3i3.9977 (6)Cs3—Si1iv3.7851 (15)
Cs1—Lu1ii4.0179 (5)Cs3—O6x3.857 (5)
Cs1—O9iii4.044 (4)Cs3—O7xi3.942 (4)
Cs1—O1i4.050 (4)Cs3—O74.030 (4)
Cs1—O64.084 (4)Cs3—Si2x4.0992 (16)
Cs1—O5iii4.092 (4)Cs3—Si24.1396 (15)
Cs1—O7iii4.156 (4)Cs3—Si14.1512 (15)
Cs1—Cs2ii4.1958 (7)Cs3—Lu1i4.3217 (5)
Cs1—Si1iii4.2791 (15)Cs3—O5iv4.349 (4)
Cs1—Si1iv4.3275 (16)Cs3—O3x4.405 (5)
Cs1—Lu1vi4.3481 (5)Cs3—Si34.4276 (15)
Cs1—O6v4.354 (4)Cs3—O2iv4.665 (4)
Cs2—O2ii2.980 (4)Lu1—O3xii2.203 (4)
Cs2—O9iii3.095 (4)Lu1—O22.210 (4)
Cs2—O63.130 (4)Lu1—O9v2.212 (4)
Cs2—O83.143 (4)Lu1—O42.236 (4)
Cs2—O5iii3.170 (5)Lu1—O52.247 (4)
Cs2—O73.221 (4)Lu1—O12.255 (4)
Cs2—Si33.6301 (15)Si1—O51.606 (4)
Cs2—Si23.6470 (15)Si1—O91.609 (4)
Cs2—Si1iii3.7153 (16)Si1—O71.661 (4)
Cs2—O3vii3.752 (5)Si1—O6vii1.662 (4)
Cs2—O13.824 (4)Si2—O4iii1.599 (4)
Cs2—Cs3viii3.8495 (6)Si2—O2iv1.605 (4)
Cs2—Cs33.8532 (7)Si2—O61.650 (4)
Cs2—Si2v3.8996 (15)Si2—O81.659 (4)
Cs2—O4iii3.926 (4)Si3—O3vii1.594 (4)
Cs2—O4i4.106 (4)Si3—O1xiii1.608 (4)
Cs2—Lu1ii4.2145 (5)Si3—O71.655 (4)
Cs2—O8v4.224 (4)Si3—O81.664 (4)
Cs2—O9iv4.228 (4)
O3—Cs1—O4i89.99 (12)Cs2—Cs3—Lu1i77.894 (10)
O3—Cs1—O1ii135.45 (11)O6x—Cs3—Lu1i125.50 (6)
O4i—Cs1—O1ii110.40 (11)O7xi—Cs3—Lu1i110.07 (6)
O3—Cs1—O8iii97.28 (11)Cs1ix—Cs3—Lu1i62.878 (9)
O4i—Cs1—O8iii159.80 (11)O7—Cs3—Lu1i125.93 (6)
O1ii—Cs1—O8iii52.20 (10)Si2x—Cs3—Lu1i114.23 (2)
O3—Cs1—O2ii142.44 (12)Si2—Cs3—Lu1i93.01 (2)
O4i—Cs1—O2ii52.85 (11)Si1—Cs3—Lu1i139.30 (2)
O1ii—Cs1—O2ii66.14 (11)O1—Cs3—O5iv136.94 (10)
O8iii—Cs1—O2ii116.10 (11)O9iv—Cs3—O5iv37.42 (9)
O3—Cs1—O7iv47.76 (10)O5—Cs3—O5iv147.45 (6)
O4i—Cs1—O7iv80.27 (11)O4—Cs3—O5iv144.37 (9)
O1ii—Cs1—O7iv167.63 (10)O3ix—Cs3—O5iv94.74 (9)
O8iii—Cs1—O7iv118.38 (10)O8—Cs3—O5iv69.50 (9)
O2ii—Cs1—O7iv119.34 (11)O6—Cs3—O5iv38.20 (8)
O3—Cs1—Si2v115.30 (10)Cs1x—Cs3—O5iv79.00 (5)
O4i—Cs1—Si2v26.94 (8)Si3v—Cs3—O5iv116.40 (6)
O1ii—Cs1—Si2v85.11 (8)Lu1—Cs3—O5iv173.83 (5)
O8iii—Cs1—Si2v137.25 (8)Si1iv—Cs3—O5iv21.35 (6)
O2ii—Cs1—Si2v27.18 (8)Cs2xi—Cs3—O5iv44.99 (6)
O7iv—Cs1—Si2v104.17 (7)Cs2—Cs3—O5iv86.95 (6)
O3—Cs1—O2vi57.13 (11)O6x—Cs3—O5iv110.86 (8)
O4i—Cs1—O2vi127.58 (10)O7xi—Cs3—O5iv72.09 (8)
O1ii—Cs1—O2vi79.78 (10)Cs1ix—Cs3—O5iv105.54 (6)
O8iii—Cs1—O2vi46.44 (10)O7—Cs3—O5iv108.90 (8)
O2ii—Cs1—O2vi138.69 (4)Si2x—Cs3—O5iv128.38 (6)
O7iv—Cs1—O2vi98.89 (10)Si2—Cs3—O5iv47.77 (6)
Si2v—Cs1—O2vi133.55 (7)Si1—Cs3—O5iv129.50 (6)
O3—Cs1—Si3iii123.02 (9)Lu1i—Cs3—O5iv65.06 (5)
O4i—Cs1—Si3iii136.76 (8)O1—Cs3—O3x177.42 (10)
O1ii—Cs1—Si3iii26.49 (8)O9iv—Cs3—O3x81.75 (10)
O8iii—Cs1—Si3iii27.61 (8)O5—Cs3—O3x114.58 (10)
O2ii—Cs1—Si3iii88.50 (8)O4—Cs3—O3x114.36 (10)
O7iv—Cs1—Si3iii142.07 (7)O3ix—Cs3—O3x131.40 (8)
Si2v—Cs1—Si3iii110.74 (3)O8—Cs3—O3x68.61 (9)
O2vi—Cs1—Si3iii67.14 (7)O6—Cs3—O3x70.28 (8)
O3—Cs1—Si3iv25.66 (9)Cs1x—Cs3—O3x40.39 (6)
O4i—Cs1—Si3iv73.67 (8)Si3v—Cs3—O3x156.99 (6)
O1ii—Cs1—Si3iv160.19 (8)Lu1—Cs3—O3x140.28 (6)
O8iii—Cs1—Si3iv118.94 (8)Si1iv—Cs3—O3x66.05 (6)
O2ii—Cs1—Si3iv124.88 (8)Cs2xi—Cs3—O3x53.56 (6)
O7iv—Cs1—Si3iv27.02 (7)Cs2—Cs3—O3x114.39 (5)
Si2v—Cs1—Si3iv100.61 (3)O6x—Cs3—O3x71.59 (8)
O2vi—Cs1—Si3iv82.67 (7)O7xi—Cs3—O3x36.25 (8)
Si3iii—Cs1—Si3iv146.38 (5)Cs1ix—Cs3—O3x110.35 (5)
O3—Cs1—Cs3iii84.33 (9)O7—Cs3—O3x99.98 (8)
O4i—Cs1—Cs3iii140.57 (9)Si2x—Cs3—O3x94.57 (6)
O1ii—Cs1—Cs3iii100.56 (8)Si2—Cs3—O3x60.24 (6)
O8iii—Cs1—Cs3iii59.28 (7)Si1—Cs3—O3x106.31 (6)
O2ii—Cs1—Cs3iii126.61 (7)Lu1i—Cs3—O3x106.38 (6)
O7iv—Cs1—Cs3iii67.16 (7)O5iv—Cs3—O3x45.64 (8)
Si2v—Cs1—Cs3iii145.59 (3)O1—Cs3—Si399.62 (8)
O2vi—Cs1—Cs3iii80.65 (6)O9iv—Cs3—Si3106.83 (8)
Si3iii—Cs1—Cs3iii75.63 (3)O5—Cs3—Si360.20 (8)
Si3iv—Cs1—Cs3iii85.49 (3)O4—Cs3—Si3120.26 (8)
O3—Cs1—Cs2131.73 (8)O3ix—Cs3—Si3134.44 (8)
O4i—Cs1—Cs273.65 (8)O8—Cs3—Si318.99 (7)
O1ii—Cs1—Cs292.56 (8)O6—Cs3—Si360.75 (6)
O8iii—Cs1—Cs2113.70 (7)Cs1x—Cs3—Si351.62 (2)
O2ii—Cs1—Cs250.14 (8)Si3v—Cs3—Si3117.585 (15)
O7iv—Cs1—Cs284.35 (7)Lu1—Cs3—Si394.51 (2)
Si2v—Cs1—Cs264.42 (3)Si1iv—Cs3—Si385.87 (3)
O2vi—Cs1—Cs2158.76 (6)Cs2xi—Cs3—Si3128.83 (2)
Si3iii—Cs1—Cs297.44 (3)Cs2—Cs3—Si351.43 (2)
Si3iv—Cs1—Cs2107.05 (3)O6x—Cs3—Si3109.18 (6)
Cs3iii—Cs1—Cs281.354 (14)O7xi—Cs3—Si3105.86 (6)
O3—Cs1—Si2iii75.86 (9)Cs1ix—Cs3—Si3166.04 (2)
O4i—Cs1—Si2iii149.52 (9)O7—Cs3—Si321.92 (6)
O1ii—Cs1—Si2iii66.62 (8)Si2x—Cs3—Si3120.30 (3)
O8iii—Cs1—Si2iii22.99 (8)Si2—Cs3—Si341.49 (3)
O2ii—Cs1—Si2iii132.67 (8)Si1—Cs3—Si341.37 (3)
O7iv—Cs1—Si2iii107.56 (7)Lu1i—Cs3—Si3124.39 (2)
Si2v—Cs1—Si2iii143.711 (19)O5iv—Cs3—Si388.38 (6)
O2vi—Cs1—Si2iii23.80 (7)O3x—Cs3—Si380.05 (6)
Si3iii—Cs1—Si2iii47.22 (3)O1—Cs3—O2iv140.96 (10)
Si3iv—Cs1—Si2iii99.69 (3)O9iv—Cs3—O2iv70.26 (10)
Cs3iii—Cs1—Si2iii65.73 (2)O5—Cs3—O2iv108.64 (9)
Cs2—Cs1—Si2iii135.44 (3)O4—Cs3—O2iv149.71 (10)
O3—Cs1—Cs3i55.21 (9)O3ix—Cs3—O2iv127.68 (9)
O4i—Cs1—Cs3i49.57 (8)O8—Cs3—O2iv33.98 (8)
O1ii—Cs1—Cs3i109.01 (8)O6—Cs3—O2iv34.93 (8)
O8iii—Cs1—Cs3i121.27 (7)Cs1x—Cs3—O2iv49.04 (6)
O2ii—Cs1—Cs3i91.10 (7)Si3v—Cs3—O2iv139.09 (6)
O7iv—Cs1—Cs3i82.54 (7)Lu1—Cs3—O2iv145.27 (5)
Si2v—Cs1—Cs3i65.80 (3)Si1iv—Cs3—O2iv46.50 (6)
O2vi—Cs1—Cs3i78.16 (6)Cs2xi—Cs3—O2iv77.70 (5)
Si3iii—Cs1—Cs3i125.02 (3)Cs2—Cs3—O2iv74.01 (5)
Si3iv—Cs1—Cs3i57.95 (2)O6x—Cs3—O2iv108.15 (8)
Cs3iii—Cs1—Cs3i139.522 (15)O7xi—Cs3—O2iv76.54 (8)
Cs2—Cs1—Cs3i123.056 (15)Cs1ix—Cs3—O2iv142.26 (5)
Si2iii—Cs1—Cs3i101.27 (2)O7—Cs3—O2iv73.28 (8)
O3—Cs1—Lu1ii158.89 (9)Si2x—Cs3—O2iv131.79 (6)
O4i—Cs1—Lu1ii83.27 (8)Si2—Cs3—O2iv19.87 (6)
O1ii—Cs1—Lu1ii33.77 (8)Si1—Cs3—O2iv91.25 (6)
O8iii—Cs1—Lu1ii83.25 (7)Lu1i—Cs3—O2iv98.25 (5)
O2ii—Cs1—Lu1ii33.03 (8)O5iv—Cs3—O2iv38.83 (8)
O7iv—Cs1—Lu1ii148.51 (7)O3x—Cs3—O2iv40.38 (7)
Si2v—Cs1—Lu1ii56.33 (2)Si3—Cs3—O2iv51.49 (6)
O2vi—Cs1—Lu1ii112.41 (7)O3xii—Lu1—O290.72 (17)
Si3iii—Cs1—Lu1ii55.64 (2)O3xii—Lu1—O9v89.23 (16)
Si3iv—Cs1—Lu1ii156.94 (3)O2—Lu1—O9v87.41 (15)
Cs3iii—Cs1—Lu1ii113.351 (13)O3xii—Lu1—O484.26 (15)
Cs2—Cs1—Lu1ii65.251 (10)O2—Lu1—O4171.01 (16)
Si2iii—Cs1—Lu1ii100.24 (2)O9v—Lu1—O499.95 (16)
Cs3i—Cs1—Lu1ii106.540 (13)O3xii—Lu1—O599.47 (17)
O3—Cs1—O9iii167.84 (11)O2—Lu1—O585.00 (15)
O4i—Cs1—O9iii99.76 (10)O9v—Lu1—O5168.50 (16)
O1ii—Cs1—O9iii47.21 (10)O4—Lu1—O588.46 (16)
O8iii—Cs1—O9iii75.96 (9)O3xii—Lu1—O1169.68 (16)
O2ii—Cs1—O9iii48.52 (9)O2—Lu1—O196.45 (16)
O7iv—Cs1—O9iii126.54 (9)O9v—Lu1—O183.71 (14)
Si2v—Cs1—O9iii75.64 (6)O4—Lu1—O189.54 (15)
O2vi—Cs1—O9iii119.97 (9)O5—Lu1—O188.57 (16)
Si3iii—Cs1—O9iii52.85 (6)O3xii—Lu1—Cs3128.68 (11)
Si3iv—Cs1—O9iii152.56 (7)O2—Lu1—Cs3124.41 (12)
Cs3iii—Cs1—O9iii83.52 (6)O9v—Lu1—Cs3124.34 (10)
Cs2—Cs1—O9iii46.40 (6)O4—Lu1—Cs355.15 (11)
Si2iii—Cs1—O9iii98.55 (6)O5—Lu1—Cs354.89 (11)
Cs3i—Cs1—O9iii136.95 (6)O1—Lu1—Cs351.82 (10)
Lu1ii—Cs1—O9iii31.85 (6)O3xii—Lu1—Cs1xiv136.55 (11)
O3—Cs1—O1i41.66 (10)O2—Lu1—Cs1xiv49.32 (12)
O4i—Cs1—O1i50.75 (9)O9v—Lu1—Cs1xiv74.72 (11)
O1ii—Cs1—O1i151.28 (13)O4—Lu1—Cs1xiv137.59 (10)
O8iii—Cs1—O1i138.93 (10)O5—Lu1—Cs1xiv93.78 (12)
O2ii—Cs1—O1i103.12 (9)O1—Lu1—Cs1xiv48.28 (11)
O7iv—Cs1—O1i40.89 (8)Cs3—Lu1—Cs1xiv92.527 (12)
Si2v—Cs1—O1i77.64 (6)O3xii—Lu1—Cs2xiv85.11 (11)
O2vi—Cs1—O1i95.63 (9)O2—Lu1—Cs2xiv42.36 (10)
Si3iii—Cs1—O1i162.28 (6)O9v—Lu1—Cs2xiv45.48 (11)
Si3iv—Cs1—O1i23.30 (6)O4—Lu1—Cs2xiv143.89 (12)
Cs3iii—Cs1—O1i106.68 (6)O5—Lu1—Cs2xiv127.35 (11)
Cs2—Cs1—O1i100.27 (6)O1—Lu1—Cs2xiv95.18 (11)
Si2iii—Cs1—O1i116.95 (6)Cs3—Lu1—Cs2xiv146.201 (13)
Cs3i—Cs1—O1i42.79 (6)Cs1xiv—Lu1—Cs2xiv54.773 (11)
Lu1ii—Cs1—O1i133.81 (6)O3xii—Lu1—Cs2x60.24 (12)
O9iii—Cs1—O1i144.29 (8)O2—Lu1—Cs2x106.33 (10)
O3—Cs1—O686.68 (10)O9v—Lu1—Cs2x145.93 (11)
O4i—Cs1—O681.18 (11)O4—Lu1—Cs2x64.69 (11)
O1ii—Cs1—O6134.06 (9)O5—Lu1—Cs2x45.24 (12)
O8iii—Cs1—O6117.91 (9)O1—Lu1—Cs2x124.05 (10)
O2ii—Cs1—O691.97 (10)Cs3—Lu1—Cs2x73.508 (9)
O7iv—Cs1—O639.11 (9)Cs1xiv—Lu1—Cs2x137.582 (10)
Si2v—Cs1—O692.07 (7)Cs2xiv—Lu1—Cs2x135.276 (14)
O2vi—Cs1—O6129.18 (9)O3xii—Lu1—Cs3ix49.34 (12)
Si3iii—Cs1—O6123.58 (6)O2—Lu1—Cs3ix87.93 (11)
Si3iv—Cs1—O665.15 (6)O9v—Lu1—Cs3ix39.89 (10)
Cs3iii—Cs1—O659.59 (6)O4—Lu1—Cs3ix94.39 (11)
Cs2—Cs1—O646.65 (6)O5—Lu1—Cs3ix147.96 (11)
Si2iii—Cs1—O6123.81 (7)O1—Lu1—Cs3ix123.31 (10)
Cs3i—Cs1—O6111.38 (5)Cs3—Lu1—Cs3ix146.522 (6)
Lu1ii—Cs1—O6111.84 (6)Cs1xiv—Lu1—Cs3ix105.046 (10)
O9iii—Cs1—O687.65 (8)Cs2xiv—Lu1—Cs3ix53.592 (9)
O1i—Cs1—O670.04 (8)Cs2x—Lu1—Cs3ix108.201 (11)
O3—Cs1—O5iii129.64 (11)O3xii—Lu1—Cs1xii35.84 (11)
O4i—Cs1—O5iii120.73 (10)O2—Lu1—Cs1xii54.92 (12)
O1ii—Cs1—O5iii73.63 (10)O9v—Lu1—Cs1xii86.28 (10)
O8iii—Cs1—O5iii67.96 (10)O4—Lu1—Cs1xii119.97 (10)
O2ii—Cs1—O5iii81.39 (9)O5—Lu1—Cs1xii96.34 (11)
O7iv—Cs1—O5iii95.73 (9)O1—Lu1—Cs1xii150.11 (11)
Si2v—Cs1—O5iii105.63 (7)Cs3—Lu1—Cs1xii148.898 (10)
O2vi—Cs1—O5iii111.55 (9)Cs1xiv—Lu1—Cs1xii101.881 (6)
Si3iii—Cs1—O5iii61.28 (7)Cs2xiv—Lu1—Cs1xii58.658 (10)
Si3iv—Cs1—O5iii121.93 (6)Cs2x—Lu1—Cs1xii77.345 (10)
Cs3iii—Cs1—O5iii46.12 (6)Cs3ix—Lu1—Cs1xii54.916 (9)
Cs2—Cs1—O5iii47.24 (6)O5—Si1—O9113.2 (2)
Si2iii—Cs1—O5iii88.37 (7)O5—Si1—O7111.1 (2)
Cs3i—Cs1—O5iii170.29 (7)O9—Si1—O7109.9 (2)
Lu1ii—Cs1—O5iii70.18 (6)O5—Si1—O6vii111.1 (2)
O9iii—Cs1—O5iii38.52 (8)O9—Si1—O6vii108.3 (2)
O1i—Cs1—O5iii133.04 (9)O7—Si1—O6vii102.7 (2)
O6—Cs1—O5iii63.06 (8)O5—Si1—Cs2x57.96 (17)
O3—Cs1—O7iii133.13 (11)O9—Si1—Cs2x55.27 (16)
O4i—Cs1—O7iii136.79 (10)O7—Si1—Cs2x130.56 (15)
O1ii—Cs1—O7iii40.17 (9)O6vii—Si1—Cs2x126.64 (19)
O8iii—Cs1—O7iii38.49 (9)O5—Si1—Cs3vii99.52 (17)
O2ii—Cs1—O7iii83.98 (10)O9—Si1—Cs3vii48.86 (15)
O7iv—Cs1—O7iii127.58 (11)O7—Si1—Cs3vii148.73 (16)
Si2v—Cs1—O7iii110.60 (6)O6vii—Si1—Cs3vii70.82 (18)
O2vi—Cs1—O7iii84.53 (9)Cs2x—Si1—Cs3vii61.75 (3)
Si3iii—Cs1—O7iii23.21 (6)O5—Si1—Cs338.26 (16)
Si3iv—Cs1—O7iii146.46 (6)O9—Si1—Cs3118.85 (17)
Cs3iii—Cs1—O7iii61.85 (6)O7—Si1—Cs374.22 (15)
Cs2—Cs1—O7iii77.07 (6)O6vii—Si1—Cs3130.97 (16)
Si2iii—Cs1—O7iii61.46 (6)Cs2x—Si1—Cs375.78 (3)
Cs3i—Cs1—O7iii147.53 (6)Cs3vii—Si1—Cs3133.75 (4)
Lu1ii—Cs1—O7iii55.59 (6)O5—Si1—Cs1x72.45 (16)
O9iii—Cs1—O7iii38.09 (8)O9—Si1—Cs1x70.73 (16)
O1i—Cs1—O7iii168.40 (8)O7—Si1—Cs1x74.49 (15)
O6—Cs1—O7iii100.87 (8)O6vii—Si1—Cs1x176.18 (16)
O5iii—Cs1—O7iii38.11 (8)Cs2x—Si1—Cs1x56.08 (2)
O3—Cs1—Cs2ii78.50 (8)Cs3vii—Si1—Cs1x110.23 (4)
O4i—Cs1—Cs2ii94.13 (9)Cs3—Si1—Cs1x51.107 (19)
O1ii—Cs1—Cs2ii61.44 (8)O5—Si1—Cs2vii140.66 (16)
O8iii—Cs1—Cs2ii69.12 (7)O9—Si1—Cs2vii75.93 (16)
O2ii—Cs1—Cs2ii96.98 (8)O7—Si1—Cs2vii99.98 (15)
O7iv—Cs1—Cs2ii125.63 (7)O6vii—Si1—Cs2vii35.89 (14)
Si2v—Cs1—Cs2ii90.16 (3)Cs2x—Si1—Cs2vii117.07 (4)
O2vi—Cs1—Cs2ii44.23 (6)Cs3vii—Si1—Cs2vii56.30 (2)
Si3iii—Cs1—Cs2ii69.52 (3)Cs3—Si1—Cs2vii165.12 (4)
Si3iv—Cs1—Cs2ii99.35 (3)Cs1x—Si1—Cs2vii141.46 (4)
Cs3iii—Cs1—Cs2ii122.524 (16)O5—Si1—Cs1vii158.36 (17)
Cs2—Cs1—Cs2ii145.944 (14)O9—Si1—Cs1vii85.41 (16)
Si2iii—Cs1—Cs2ii56.96 (2)O7—Si1—Cs1vii49.49 (15)
Cs3i—Cs1—Cs2ii55.983 (11)O6vii—Si1—Cs1vii70.45 (15)
Lu1ii—Cs1—Cs2ii82.056 (12)Cs2x—Si1—Cs1vii139.56 (4)
O9iii—Cs1—Cs2ii107.77 (6)Cs3vii—Si1—Cs1vii101.20 (3)
O1i—Cs1—Cs2ii95.50 (6)Cs3—Si1—Cs1vii123.71 (4)
O6—Cs1—Cs2ii164.48 (6)Cs1x—Si1—Cs1vii105.74 (3)
O5iii—Cs1—Cs2ii130.80 (6)Cs2vii—Si1—Cs1vii51.995 (19)
O7iii—Cs1—Cs2ii92.69 (6)O5—Si1—Cs281.83 (17)
O3—Cs1—Si1iii146.06 (10)O9—Si1—Cs2143.52 (16)
O4i—Cs1—Si1iii120.06 (8)O7—Si1—Cs235.83 (15)
O1ii—Cs1—Si1iii52.03 (8)O6vii—Si1—Cs295.27 (19)
O8iii—Cs1—Si1iii60.28 (8)Cs2x—Si1—Cs2128.71 (4)
O2ii—Cs1—Si1iii70.43 (8)Cs3vii—Si1—Cs2165.63 (4)
O7iv—Cs1—Si1iii117.66 (7)Cs3—Si1—Cs253.34 (2)
Si2v—Cs1—Si1iii97.41 (3)Cs1x—Si1—Cs283.89 (3)
O2vi—Cs1—Si1iii106.70 (7)Cs2vii—Si1—Cs2114.22 (3)
Si3iii—Cs1—Si1iii44.42 (3)Cs1vii—Si1—Cs276.55 (3)
Si3iv—Cs1—Si1iii143.83 (3)O5—Si1—Cs3viii115.92 (17)
Cs3iii—Cs1—Si1iii62.63 (2)O9—Si1—Cs3viii130.79 (17)
Cs2—Cs1—Si1iii54.42 (2)O7—Si1—Cs3viii53.48 (14)
Si2iii—Cs1—Si1iii83.16 (3)O6vii—Si1—Cs3viii50.38 (18)
Cs3i—Cs1—Si1iii157.30 (2)Cs2x—Si1—Cs3viii172.92 (4)
Lu1ii—Cs1—Si1iii50.86 (2)Cs3vii—Si1—Cs3viii118.36 (4)
O9iii—Cs1—Si1iii22.07 (6)Cs3—Si1—Cs3viii101.51 (3)
O1i—Cs1—Si1iii152.41 (6)Cs1x—Si1—Cs3viii127.30 (3)
O6—Cs1—Si1iii83.18 (6)Cs2vii—Si1—Cs3viii64.81 (2)
O5iii—Cs1—Si1iii21.97 (6)Cs1vii—Si1—Cs3viii47.326 (17)
O7iii—Cs1—Si1iii22.66 (6)Cs2—Si1—Cs3viii49.844 (18)
Cs2ii—Cs1—Si1iii111.76 (2)O4iii—Si2—O2iv114.4 (2)
O3—Cs1—Si1iv67.82 (8)O4iii—Si2—O6108.9 (2)
O4i—Cs1—Si1iv70.07 (9)O2iv—Si2—O6110.9 (2)
O1ii—Cs1—Si1iv155.79 (8)O4iii—Si2—O8110.2 (2)
O8iii—Cs1—Si1iv130.11 (7)O2iv—Si2—O8109.0 (2)
O2ii—Cs1—Si1iv99.45 (8)O6—Si2—O8102.8 (2)
O7iv—Cs1—Si1iv21.25 (7)O4iii—Si2—Cs1xiii57.38 (15)
Si2v—Cs1—Si1iv89.24 (3)O2iv—Si2—Cs1xiii61.05 (17)
O2vi—Cs1—Si1iv120.01 (7)O6—Si2—Cs1xiii109.69 (19)
Si3iii—Cs1—Si1iv144.25 (3)O8—Si2—Cs1xiii147.47 (15)
Si3iv—Cs1—Si1iv43.97 (3)O4iii—Si2—Cs287.84 (16)
Cs3iii—Cs1—Si1iv71.69 (2)O2iv—Si2—Cs2157.77 (17)
Cs2—Cs1—Si1iv63.91 (2)O6—Si2—Cs258.84 (15)
Si2iii—Cs1—Si1iv125.74 (3)O8—Si2—Cs259.33 (14)
Cs3i—Cs1—Si1iv89.85 (2)Cs1xiii—Si2—Cs2139.33 (5)
Lu1ii—Cs1—Si1iv127.26 (2)O4iii—Si2—Cs2xiii85.86 (17)
O9iii—Cs1—Si1iv108.59 (6)O2iv—Si2—Cs2xiii44.67 (15)
O1i—Cs1—Si1iv47.69 (6)O6—Si2—Cs2xiii155.59 (15)
O6—Cs1—Si1iv22.56 (6)O8—Si2—Cs2xiii89.49 (14)
O5iii—Cs1—Si1iv85.35 (6)Cs1xiii—Si2—Cs2xiii61.26 (3)
O7iii—Cs1—Si1iv122.62 (6)Cs2—Si2—Cs2xiii143.49 (4)
Cs2ii—Cs1—Si1iv142.25 (2)O4iii—Si2—Cs1x138.82 (17)
Si1iii—Cs1—Si1iv105.74 (3)O2iv—Si2—Cs1x63.90 (17)
O3—Cs1—Lu1vi26.72 (8)O6—Si2—Cs1x109.48 (18)
O4i—Cs1—Lu1vi108.40 (8)O8—Si2—Cs1x46.25 (14)
O1ii—Cs1—Lu1vi109.36 (8)Cs1xiii—Si2—Cs1x120.44 (4)
O8iii—Cs1—Lu1vi73.39 (7)Cs2—Si2—Cs1x99.38 (4)
O2ii—Cs1—Lu1vi150.75 (7)Cs2xiii—Si2—Cs1x64.41 (3)
O7iv—Cs1—Lu1vi71.56 (7)O4iii—Si2—Cs3iii40.57 (16)
Si2v—Cs1—Lu1vi127.96 (3)O2iv—Si2—Cs3iii119.76 (18)
O2vi—Cs1—Lu1vi30.44 (7)O6—Si2—Cs3iii69.88 (18)
Si3iii—Cs1—Lu1vi97.11 (3)O8—Si2—Cs3iii130.14 (15)
Si3iv—Cs1—Lu1vi52.34 (2)Cs1xiii—Si2—Cs3iii62.82 (3)
Cs3iii—Cs1—Lu1vi82.461 (11)Cs2—Si2—Cs3iii77.16 (3)
Cs2—Cs1—Lu1vi154.785 (14)Cs2xiii—Si2—Cs3iii117.73 (4)
Si2iii—Cs1—Lu1vi50.75 (2)Cs1x—Si2—Cs3iii176.34 (4)
Cs3i—Cs1—Lu1vi62.206 (10)O4iii—Si2—Cs3146.46 (17)
Lu1ii—Cs1—Lu1vi139.577 (14)O2iv—Si2—Cs398.88 (17)
O9iii—Cs1—Lu1vi149.30 (6)O6—Si2—Cs359.64 (19)
O1i—Cs1—Lu1vi66.27 (6)O8—Si2—Cs351.01 (13)
O6—Cs1—Lu1vi108.21 (6)Cs1xiii—Si2—Cs3153.99 (4)
O5iii—Cs1—Lu1vi126.37 (6)Cs2—Si2—Cs358.92 (2)
O7iii—Cs1—Lu1vi111.62 (6)Cs2xiii—Si2—Cs3117.51 (4)
Cs2ii—Cs1—Lu1vi59.080 (10)Cs1x—Si2—Cs353.25 (2)
Si1iii—Cs1—Lu1vi131.45 (2)Cs3iii—Si2—Cs3124.76 (4)
Si1iv—Cs1—Lu1vi92.64 (2)O4iii—Si2—Cs176.58 (17)
O3—Cs1—O6v109.67 (11)O2iv—Si2—Cs1137.47 (17)
O4i—Cs1—O6v36.49 (10)O6—Si2—Cs134.26 (15)
O1ii—Cs1—O6v75.04 (9)O8—Si2—Cs1104.15 (15)
O8iii—Cs1—O6v123.67 (9)Cs1xiii—Si2—Cs1101.58 (3)
O2ii—Cs1—O6v37.56 (9)Cs2—Si2—Cs145.200 (19)
O7iv—Cs1—O6v116.34 (8)Cs2xiii—Si2—Cs1160.60 (4)
Si2v—Cs1—O6v20.90 (6)Cs1x—Si2—Cs1134.92 (4)
O2vi—Cs1—O6v112.95 (9)Cs3iii—Si2—Cs142.877 (16)
Si3iii—Cs1—O6v101.46 (5)Cs3—Si2—Cs181.89 (2)
Si3iv—Cs1—O6v103.82 (6)O4iii—Si2—Cs3xiii67.32 (16)
Cs3iii—Cs1—O6v164.12 (6)O2iv—Si2—Cs3xiii89.29 (16)
Cs2—Cs1—O6v83.59 (6)O6—Si2—Cs3xiii158.25 (15)
Si2iii—Cs1—O6v123.87 (6)O8—Si2—Cs3xiii61.41 (14)
Cs3i—Cs1—O6v54.80 (6)Cs1xiii—Si2—Cs3xiii86.70 (3)
Lu1ii—Cs1—O6v54.89 (5)Cs2—Si2—Cs3xiii99.41 (3)
O9iii—Cs1—O6v82.45 (8)Cs2xiii—Si2—Cs3xiii45.395 (17)
O1i—Cs1—O6v80.95 (7)Cs1x—Si2—Cs3xiii71.50 (2)
O6—Cs1—O6v112.32 (11)Cs3iii—Si2—Cs3xiii107.68 (3)
O5iii—Cs1—O6v118.59 (9)Cs3—Si2—Cs3xiii110.86 (3)
O7iii—Cs1—O6v109.72 (8)Cs1—Si2—Cs3xiii130.50 (3)
Cs2ii—Cs1—O6v69.27 (6)O3vii—Si3—O1xiii114.7 (2)
Si1iii—Cs1—O6v104.15 (6)O3vii—Si3—O7108.3 (2)
Si1iv—Cs1—O6v105.97 (6)O1xiii—Si3—O7110.7 (2)
Lu1vi—Cs1—O6v113.42 (6)O3vii—Si3—O8109.6 (2)
O2ii—Cs2—O9iii60.35 (11)O1xiii—Si3—O8110.1 (2)
O2ii—Cs2—O6116.46 (11)O7—Si3—O8102.7 (2)
O9iii—Cs2—O6129.40 (12)O3vii—Si3—Cs1x153.15 (18)
O2ii—Cs2—O8162.29 (11)O1xiii—Si3—Cs1x57.13 (16)
O9iii—Cs2—O8134.84 (10)O7—Si3—Cs1x98.21 (15)
O6—Cs2—O848.68 (10)O8—Si3—Cs1x58.73 (14)
O2ii—Cs2—O5iii100.65 (11)O3vii—Si3—Cs1vii51.18 (16)
O9iii—Cs2—O5iii50.71 (10)O1xiii—Si3—Cs1vii94.80 (16)
O6—Cs2—O5iii85.47 (11)O7—Si3—Cs1vii73.12 (15)
O8—Cs2—O5iii88.54 (10)O8—Si3—Cs1vii154.24 (16)
O2ii—Cs2—O7142.42 (12)Cs1x—Si3—Cs1vii146.38 (5)
O9iii—Cs2—O7113.07 (10)O3vii—Si3—Cs281.85 (18)
O6—Cs2—O796.27 (10)O1xiii—Si3—Cs2163.35 (17)
O8—Cs2—O748.07 (10)O7—Si3—Cs262.53 (15)
O5iii—Cs2—O799.82 (11)O8—Si3—Cs259.86 (14)
O2ii—Cs2—Si3168.59 (9)Cs1x—Si3—Cs2107.41 (4)
O9iii—Cs2—Si3115.18 (8)Cs1vii—Si3—Cs297.32 (4)
O6—Cs2—Si374.72 (8)O3vii—Si3—Cs3xiii64.63 (17)
O8—Cs2—Si327.25 (7)O1xiii—Si3—Cs3xiii50.25 (15)
O5iii—Cs2—Si381.86 (8)O7—Si3—Cs3xiii131.83 (16)
O7—Cs2—Si327.12 (7)O8—Si3—Cs3xiii124.96 (15)
O2ii—Cs2—Si2141.91 (9)Cs1x—Si3—Cs3xiii100.79 (4)
O9iii—Cs2—Si2125.57 (8)Cs1vii—Si3—Cs3xiii66.63 (3)
O6—Cs2—Si226.81 (7)Cs2—Si3—Cs3xiii146.01 (5)
O8—Cs2—Si227.00 (7)O3vii—Si3—Cs3136.15 (18)
O5iii—Cs2—Si274.91 (8)O1xiii—Si3—Cs3107.39 (16)
O7—Cs2—Si274.19 (7)O7—Si3—Cs365.40 (15)
Si3—Cs2—Si249.50 (3)O8—Si3—Cs340.97 (13)
O2ii—Cs2—Si1iii80.29 (8)Cs1x—Si3—Cs352.75 (2)
O9iii—Cs2—Si1iii25.30 (8)Cs1vii—Si3—Cs3137.60 (4)
O6—Cs2—Si1iii108.13 (9)Cs2—Si3—Cs356.09 (2)
O8—Cs2—Si1iii112.01 (7)Cs3xiii—Si3—Cs3153.02 (4)
O5iii—Cs2—Si1iii25.42 (8)O3vii—Si3—Cs2xiii92.04 (17)
O7—Cs2—Si1iii107.81 (8)O1xiii—Si3—Cs2xiii56.69 (15)
Si3—Cs2—Si1iii98.82 (3)O7—Si3—Cs2xiii159.60 (15)
Si2—Cs2—Si1iii100.32 (3)O8—Si3—Cs2xiii70.95 (14)
O2ii—Cs2—O3vii152.44 (10)Cs1x—Si3—Cs2xiii61.71 (2)
O9iii—Cs2—O3vii92.16 (10)Cs1vii—Si3—Cs2xiii121.05 (4)
O6—Cs2—O3vii81.52 (9)Cs2—Si3—Cs2xiii124.31 (4)
O8—Cs2—O3vii44.34 (10)Cs3xiii—Si3—Cs2xiii55.42 (2)
O5iii—Cs2—O3vii58.02 (10)Cs3—Si3—Cs2xiii101.28 (3)
O7—Cs2—O3vii43.55 (10)O3vii—Si3—Cs3viii62.66 (17)
Si3—Cs2—O3vii24.87 (7)O1xiii—Si3—Cs3viii136.69 (16)
Si2—Cs2—O3vii54.92 (7)O7—Si3—Cs3viii46.17 (14)
Si1iii—Cs2—O3vii73.99 (7)O8—Si3—Cs3viii110.86 (15)
O2ii—Cs2—Cs152.35 (9)Cs1x—Si3—Cs3viii142.47 (4)
O9iii—Cs2—Cs171.11 (8)Cs1vii—Si3—Cs3viii47.709 (19)
O6—Cs2—Cs171.60 (8)Cs2—Si3—Cs3viii51.00 (2)
O8—Cs2—Cs1118.44 (7)Cs3xiii—Si3—Cs3viii112.21 (3)
O5iii—Cs2—Cs171.37 (8)Cs3—Si3—Cs3viii94.54 (3)
O7—Cs2—Cs1165.18 (7)Cs2xiii—Si3—Cs3viii154.16 (4)
Si3—Cs2—Cs1138.07 (3)O3vii—Si3—Cs2x160.88 (17)
Si2—Cs2—Cs191.75 (3)O1xiii—Si3—Cs2x60.62 (16)
Si1iii—Cs2—Cs169.50 (2)O7—Si3—Cs2x61.07 (14)
O3vii—Cs2—Cs1123.97 (7)O8—Si3—Cs2x88.89 (14)
O2ii—Cs2—O176.22 (10)Cs1x—Si3—Cs2x42.697 (19)
O9iii—Cs2—O1122.55 (10)Cs1vii—Si3—Cs2x109.74 (3)
O6—Cs2—O1102.09 (11)Cs2—Si3—Cs2x104.30 (3)
O8—Cs2—O196.35 (9)Cs3xiii—Si3—Cs2x109.29 (3)
O5iii—Cs2—O1172.44 (10)Cs3—Si3—Cs2x56.810 (18)
O7—Cs2—O179.40 (9)Cs2xiii—Si3—Cs2x98.93 (3)
Si3—Cs2—O199.88 (6)Cs3viii—Si3—Cs2x106.84 (3)
Si2—Cs2—O1111.86 (7)Si3v—O1—Lu1134.3 (2)
Si1iii—Cs2—O1147.70 (7)Si3v—O1—Cs3104.8 (2)
O3vii—Cs2—O1122.49 (9)Lu1—O1—Cs391.04 (13)
Cs1—Cs2—O1110.92 (6)Si3v—O1—Cs1xiv96.38 (18)
O2ii—Cs2—Cs3viii87.93 (8)Lu1—O1—Cs1xiv97.95 (14)
O9iii—Cs2—Cs3viii49.43 (7)Cs3—O1—Cs1xiv140.01 (15)
O6—Cs2—Cs3viii151.89 (7)Si3v—O1—Cs2102.74 (17)
O8—Cs2—Cs3viii109.11 (7)Lu1—O1—Cs2122.93 (14)
O5iii—Cs2—Cs3viii75.88 (8)Cs3—O1—Cs268.04 (8)
O7—Cs2—Cs3viii67.09 (7)Cs1xiv—O1—Cs274.50 (9)
Si3—Cs2—Cs3viii81.86 (3)Si3v—O1—Cs1ix61.90 (14)
Si2—Cs2—Cs3viii125.72 (3)Lu1—O1—Cs1ix86.80 (12)
Si1iii—Cs2—Cs3viii60.02 (2)Cs3—O1—Cs1ix67.65 (8)
O3vii—Cs2—Cs3viii70.81 (7)Cs1xiv—O1—Cs1ix151.28 (13)
Cs1—Cs2—Cs3viii120.123 (14)Cs2—O1—Cs1ix126.11 (11)
O1—Cs2—Cs3viii97.01 (7)Si3v—O1—Cs2xiv102.96 (17)
O2ii—Cs2—Cs3110.12 (8)Lu1—O1—Cs2xiv57.87 (9)
O9iii—Cs2—Cs3167.48 (8)Cs3—O1—Cs2xiv148.00 (12)
O6—Cs2—Cs361.02 (9)Cs1xiv—O1—Cs2xiv49.83 (6)
O8—Cs2—Cs356.18 (7)Cs2—O1—Cs2xiv120.32 (10)
O5iii—Cs2—Cs3141.80 (8)Cs1ix—O1—Cs2xiv113.54 (9)
O7—Cs2—Cs368.79 (7)Si3v—O1—Cs3v55.25 (14)
Si3—Cs2—Cs372.48 (2)Lu1—O1—Cs3v114.01 (13)
Si2—Cs2—Cs366.93 (2)Cs3—O1—Cs3v154.67 (12)
Si1iii—Cs2—Cs3167.22 (3)Cs1xiv—O1—Cs3v44.07 (5)
O3vii—Cs2—Cs396.75 (7)Cs2—O1—Cs3v99.05 (8)
Cs1—Cs2—Cs3110.429 (14)Cs1ix—O1—Cs3v108.26 (8)
O1—Cs2—Cs344.97 (6)Cs2xiv—O1—Cs3v57.29 (5)
Cs3viii—Cs2—Cs3125.956 (16)Si3v—O1—Cs2v11.56 (12)
O2ii—Cs2—Si2v22.24 (8)Lu1—O1—Cs2v132.00 (14)
O9iii—Cs2—Si2v82.51 (8)Cs3—O1—Cs2v116.19 (11)
O6—Cs2—Si2v101.92 (7)Cs1xiv—O1—Cs2v85.77 (8)
O8—Cs2—Si2v140.84 (7)Cs2—O1—Cs2v104.28 (8)
O5iii—Cs2—Si2v117.87 (8)Cs1ix—O1—Cs2v70.55 (6)
O7—Cs2—Si2v138.99 (8)Cs2xiv—O1—Cs2v92.60 (7)
Si3—Cs2—Si2v159.96 (3)Cs3v—O1—Cs2v43.78 (3)
Si2—Cs2—Si2v128.69 (3)Si2vii—O2—Lu1139.2 (2)
Si1iii—Cs2—Si2v100.95 (3)Si2vii—O2—Cs2xiv113.1 (2)
O3vii—Cs2—Si2v174.67 (7)Lu1—O2—Cs2xiv107.66 (14)
Cs1—Cs2—Si2v54.31 (2)Si2vii—O2—Cs1xiv91.77 (19)
O1—Cs2—Si2v61.06 (6)Lu1—O2—Cs1xiv97.65 (15)
Cs3viii—Cs2—Si2v105.34 (2)Cs2xiv—O2—Cs1xiv77.51 (10)
Cs3—Cs2—Si2v88.51 (2)Si2vii—O2—Cs1xii92.29 (19)
O2ii—Cs2—O4iii136.35 (11)Lu1—O2—Cs1xii94.64 (14)
O9iii—Cs2—O4iii101.65 (10)Cs2xiv—O2—Cs1xii79.10 (10)
O6—Cs2—O4iii42.12 (9)Cs1xiv—O2—Cs1xii155.96 (14)
O8—Cs2—O4iii42.65 (9)Si2vii—O2—Cs3vii61.25 (14)
O5iii—Cs2—O4iii50.93 (9)Lu1—O2—Cs3vii93.74 (12)
O7—Cs2—O4iii80.39 (10)Cs2xiv—O2—Cs3vii126.68 (13)
Si3—Cs2—O4iii53.29 (7)Cs1xiv—O2—Cs3vii148.21 (12)
Si2—Cs2—O4iii24.01 (6)Cs1xii—O2—Cs3vii50.31 (5)
Si1iii—Cs2—O4iii76.35 (6)Si2vii—O2—Cs3ix144.7 (2)
O3vii—Cs2—O4iii45.57 (9)Lu1—O2—Cs3ix64.56 (10)
Cs1—Cs2—O4iii84.84 (6)Cs2xiv—O2—Cs3ix53.55 (7)
O1—Cs2—O4iii135.67 (8)Cs1xiv—O2—Cs3ix113.05 (10)
Cs3viii—Cs2—O4iii110.60 (6)Cs1xii—O2—Cs3ix54.90 (6)
Cs3—Cs2—O4iii90.87 (6)Cs3vii—O2—Cs3ix98.65 (9)
Si2v—Cs2—O4iii135.59 (7)Si2vii—O2—Cs3viii44.36 (14)
O2ii—Cs2—O4i40.92 (10)Lu1—O2—Cs3viii117.77 (15)
O9iii—Cs2—O4i96.37 (10)Cs2xiv—O2—Cs3viii113.50 (11)
O6—Cs2—O4i79.08 (9)Cs1xiv—O2—Cs3viii51.75 (7)
O8—Cs2—O4i121.40 (9)Cs1xii—O2—Cs3viii136.66 (10)
O5iii—Cs2—O4i115.22 (9)Cs3vii—O2—Cs3viii96.80 (7)
O7—Cs2—O4i143.93 (9)Cs3ix—O2—Cs3viii164.19 (9)
Si3—Cs2—O4i147.41 (6)Si2vii—O2—Cs2vii15.48 (12)
Si2—Cs2—O4i105.88 (6)Lu1—O2—Cs2vii129.20 (13)
Si1iii—Cs2—O4i107.58 (6)Cs2xiv—O2—Cs2vii120.81 (11)
O3vii—Cs2—O4i159.99 (9)Cs1xiv—O2—Cs2vii106.26 (10)
Cs1—Cs2—O4i43.99 (6)Cs1xii—O2—Cs2vii81.19 (8)
O1—Cs2—O4i66.98 (8)Cs3vii—O2—Cs2vii45.79 (4)
Cs3viii—Cs2—O4i127.87 (6)Cs3ix—O2—Cs2vii135.98 (10)
Cs3—Cs2—O4i78.05 (6)Cs3viii—O2—Cs2vii56.35 (4)
Si2v—Cs2—O4i22.85 (6)Si2vii—O2—Cs3109.84 (18)
O4iii—Cs2—O4i114.71 (8)Lu1—O2—Cs335.50 (8)
O2ii—Cs2—Cs1xiv56.67 (9)Cs2xiv—O2—Cs3131.18 (11)
O9iii—Cs2—Cs1xiv79.73 (7)Cs1xiv—O2—Cs379.05 (9)
O6—Cs2—Cs1xiv145.22 (8)Cs1xii—O2—Cs3121.43 (10)
O8—Cs2—Cs1xiv127.74 (7)Cs3vii—O2—Cs393.90 (7)
O5iii—Cs2—Cs1xiv128.48 (8)Cs3ix—O2—Cs399.66 (7)
O7—Cs2—Cs1xiv85.99 (7)Cs3viii—O2—Cs382.57 (7)
Si3—Cs2—Cs1xiv113.08 (3)Cs2vii—O2—Cs3106.64 (7)
Si2—Cs2—Cs1xiv152.34 (3)Si2vii—O2—Cs2x94.90 (16)
Si1iii—Cs2—Cs1xiv104.07 (3)Lu1—O2—Cs2x50.45 (8)
O3vii—Cs2—Cs1xiv120.44 (7)Cs2xiv—O2—Cs2x139.86 (13)
Cs1—Cs2—Cs1xiv108.832 (10)Cs1xiv—O2—Cs2x131.88 (12)
O1—Cs2—Cs1xiv44.06 (6)Cs1xii—O2—Cs2x71.28 (7)
Cs3viii—Cs2—Cs1xiv59.406 (10)Cs3vii—O2—Cs2x44.37 (4)
Cs3—Cs2—Cs1xiv88.161 (13)Cs3ix—O2—Cs2x86.90 (7)
Si2v—Cs2—Cs1xiv58.63 (2)Cs3viii—O2—Cs2x106.64 (7)
O4iii—Cs2—Cs1xiv165.72 (6)Cs2vii—O2—Cs2x81.15 (5)
O4i—Cs2—Cs1xiv79.01 (6)Cs3—O2—Cs2x53.91 (4)
O2ii—Cs2—Lu1ii29.98 (8)Si3iv—O3—Lu1vi139.2 (3)
O9iii—Cs2—Lu1ii30.64 (8)Si3iv—O3—Cs1103.2 (2)
O6—Cs2—Lu1ii131.47 (9)Lu1vi—O3—Cs1117.44 (16)
O8—Cs2—Lu1ii165.07 (7)Si3iv—O3—Cs3i89.78 (19)
O5iii—Cs2—Lu1ii76.86 (7)Lu1vi—O3—Cs3i100.59 (15)
O7—Cs2—Lu1ii130.90 (7)Cs1—O3—Cs3i79.85 (11)
Si3—Cs2—Lu1ii143.66 (3)Si3iv—O3—Cs2iv73.28 (16)
Si2—Cs2—Lu1ii145.25 (3)Lu1vi—O3—Cs2iv89.12 (14)
Si1iii—Cs2—Lu1ii53.07 (2)Cs1—O3—Cs2iv109.09 (13)
O3vii—Cs2—Lu1ii122.46 (7)Cs3i—O3—Cs2iv162.11 (13)
Cs1—Cs2—Lu1ii59.975 (10)Si3iv—O3—Cs3iii98.58 (18)
O1—Cs2—Lu1ii97.88 (6)Lu1vi—O3—Cs3iii101.10 (14)
Cs3viii—Cs2—Lu1ii64.629 (10)Cs1—O3—Cs3iii55.28 (8)
Cs3—Cs2—Lu1ii138.708 (14)Cs3i—O3—Cs3iii135.11 (12)
Si2v—Cs2—Lu1ii52.22 (2)Cs2iv—O3—Cs3iii55.62 (6)
O4iii—Cs2—Lu1ii124.89 (6)Si3iv—O3—Cs2ii143.6 (2)
O4i—Cs2—Lu1ii68.93 (6)Lu1vi—O3—Cs2ii66.29 (10)
Cs1xiv—Cs2—Lu1ii62.263 (9)Cs1—O3—Cs2ii63.70 (8)
O2ii—Cs2—O8v38.65 (10)Cs3i—O3—Cs2ii55.48 (6)
O9iii—Cs2—O8v95.23 (9)Cs2iv—O3—Cs2ii142.24 (12)
O6—Cs2—O8v108.13 (9)Cs3iii—O3—Cs2ii99.72 (8)
O8—Cs2—O8v129.66 (6)Si3iv—O3—Cs2i68.55 (16)
O5iii—Cs2—O8v139.20 (9)Lu1vi—O3—Cs2i86.51 (12)
O7—Cs2—O8v115.96 (9)Cs1—O3—Cs2i131.12 (14)
Si3—Cs2—O8v138.41 (6)Cs3i—O3—Cs2i52.98 (6)
Si2—Cs2—O8v131.61 (6)Cs2iv—O3—Cs2i113.46 (10)
Si1iii—Cs2—O8v118.10 (6)Cs3iii—O3—Cs2i166.07 (10)
O3vii—Cs2—O8v159.22 (8)Cs2ii—O3—Cs2i94.02 (8)
Cs1—Cs2—O8v76.81 (5)Si3iv—O3—Cs1xi18.67 (12)
O1—Cs2—O8v38.53 (8)Lu1vi—O3—Cs1xi124.64 (15)
Cs3viii—Cs2—O8v99.68 (5)Cs1—O3—Cs1xi117.25 (11)
Cs3—Cs2—O8v73.48 (5)Cs3i—O3—Cs1xi80.99 (8)
Si2v—Cs2—O8v23.12 (6)Cs2iv—O3—Cs1xi81.13 (7)
O4iii—Cs2—O8v149.51 (8)Cs3iii—O3—Cs1xi116.34 (9)
O4i—Cs2—O8v37.39 (8)Cs2ii—O3—Cs1xi136.22 (10)
Cs1xiv—Cs2—O8v42.75 (5)Cs2i—O3—Cs1xi50.34 (4)
Lu1ii—Cs2—O8v65.24 (5)Si3iv—O3—Cs3vi110.12 (19)
O2ii—Cs2—O9iv89.10 (10)Lu1vi—O3—Cs3vi32.72 (8)
O9iii—Cs2—O9iv138.56 (12)Cs1—O3—Cs3vi138.99 (13)
O6—Cs2—O9iv38.75 (9)Cs3i—O3—Cs3vi122.52 (11)
O8—Cs2—O9iv73.20 (9)Cs2iv—O3—Cs3vi60.87 (6)
O5iii—Cs2—O9iv118.34 (10)Cs3iii—O3—Cs3vi95.80 (8)
O7—Cs2—O9iv108.15 (9)Cs2ii—O3—Cs3vi99.02 (7)
Si3—Cs2—O9iv99.56 (6)Cs2i—O3—Cs3vi84.26 (7)
Si2—Cs2—O9iv62.44 (6)Cs1xi—O3—Cs3vi101.02 (7)
Si1iii—Cs2—O9iv132.99 (6)Si2x—O4—Lu1138.2 (2)
O3vii—Cs2—O9iv115.71 (9)Si2x—O4—Cs1ix95.68 (18)
Cs1—Cs2—O9iv67.93 (6)Lu1—O4—Cs1ix119.96 (17)
O1—Cs2—O9iv68.78 (8)Si2x—O4—Cs3119.6 (2)
Cs3viii—Cs2—O9iv165.78 (6)Lu1—O4—Cs388.09 (13)
Cs3—Cs2—O9iv43.01 (5)Cs1ix—O4—Cs382.89 (10)
Si2v—Cs2—O9iv68.90 (6)Si2x—O4—Cs2x68.15 (15)
O4iii—Cs2—O9iv80.87 (8)Lu1—O4—Cs2x84.32 (12)
O4i—Cs2—O9iv48.22 (8)Cs1ix—O4—Cs2x153.06 (14)
Cs1xiv—Cs2—O9iv107.67 (6)Cs3—O4—Cs2x86.77 (10)
Lu1ii—Cs2—O9iv116.42 (6)Si2x—O4—Cs2ix71.29 (16)
O8v—Cs2—O9iv69.78 (8)Lu1—O4—Cs2ix104.76 (15)
O2ii—Cs2—Si1iv101.18 (9)Cs1ix—O4—Cs2ix62.36 (8)
O9iii—Cs2—Si1iv132.27 (8)Cs3—O4—Cs2ix144.96 (13)
O6—Cs2—Si1iv18.14 (7)Cs2x—O4—Cs2ix126.30 (10)
O8—Cs2—Si1iv62.24 (7)Si2x—O4—Cs3ix95.57 (17)
O5iii—Cs2—Si1iv98.14 (8)Lu1—O4—Cs3ix59.22 (10)
O7—Cs2—Si1iv106.69 (7)Cs1ix—O4—Cs3ix100.48 (11)
Si3—Cs2—Si1iv89.40 (3)Cs3—O4—Cs3ix144.32 (12)
Si2—Cs2—Si1iv44.31 (3)Cs2x—O4—Cs3ix102.39 (8)
Si1iii—Cs2—Si1iv117.07 (4)Cs2ix—O4—Cs3ix48.73 (5)
O3vii—Cs2—Si1iv99.23 (7)Si2x—O4—Cs1x86.04 (18)
Cs1—Cs2—Si1iv64.09 (2)Lu1—O4—Cs1x97.52 (13)
O1—Cs2—Si1iv89.26 (7)Cs1ix—O4—Cs1x113.68 (11)
Cs3viii—Cs2—Si1iv169.99 (2)Cs3—O4—Cs1x43.21 (6)
Cs3—Cs2—Si1iv54.81 (2)Cs2x—O4—Cs1x46.48 (5)
Si2v—Cs2—Si1iv84.51 (3)Cs2ix—O4—Cs1x155.91 (10)
O4iii—Cs2—Si1iv59.82 (6)Cs3ix—O4—Cs1x145.50 (9)
O4i—Cs2—Si1iv61.86 (6)Si2x—O4—Cs1xv29.68 (13)
Cs1xiv—Cs2—Si1iv129.33 (2)Lu1—O4—Cs1xv115.56 (13)
Lu1ii—Cs2—Si1iv122.36 (2)Cs1ix—O4—Cs1xv100.12 (10)
O8v—Cs2—Si1iv90.09 (6)Cs3—O4—Cs1xv149.06 (12)
O9iv—Cs2—Si1iv21.67 (6)Cs2x—O4—Cs1xv76.74 (6)
O2ii—Cs2—Lu1iii130.86 (8)Cs2ix—O4—Cs1xv51.25 (5)
O9iii—Cs2—Lu1iii76.58 (8)Cs3ix—O4—Cs1xv65.89 (5)
O6—Cs2—Lu1iii73.00 (7)Cs1x—O4—Cs1xv110.48 (8)
O8—Cs2—Lu1iii59.44 (7)Si2x—O4—Cs2xi87.39 (16)
O5iii—Cs2—Lu1iii30.21 (7)Lu1—O4—Cs2xi130.98 (14)
O7—Cs2—Lu1iii74.19 (7)Cs1ix—O4—Cs2xi51.96 (6)
Si3—Cs2—Lu1iii52.40 (2)Cs3—O4—Cs2xi45.55 (5)
Si2—Cs2—Lu1iii52.72 (2)Cs2x—O4—Cs2xi104.14 (9)
Si1iii—Cs2—Lu1iii52.58 (2)Cs2ix—O4—Cs2xi107.65 (8)
O3vii—Cs2—Lu1iii30.64 (6)Cs3ix—O4—Cs2xi152.42 (9)
Cs1—Cs2—Lu1iii93.689 (13)Cs1x—O4—Cs2xi61.98 (5)
O1—Cs2—Lu1iii152.28 (6)Cs1xv—O4—Cs2xi113.36 (7)
Cs3viii—Cs2—Lu1iii80.477 (11)Si1—O5—Lu1137.8 (3)
Cs3—Cs2—Lu1iii115.287 (12)Si1—O5—Cs3122.8 (2)
Si2v—Cs2—Lu1iii146.38 (3)Lu1—O5—Cs388.15 (13)
O4iii—Cs2—Lu1iii30.99 (6)Si1—O5—Cs2x96.62 (19)
O4i—Cs2—Lu1iii135.44 (6)Lu1—O5—Cs2x104.55 (16)
Cs1xiv—Cs2—Lu1iii139.705 (14)Cs3—O5—Cs2x102.11 (13)
Lu1ii—Cs2—Lu1iii105.654 (11)Si1—O5—Cs1x85.58 (16)
O8v—Cs2—Lu1iii169.19 (5)Lu1—O5—Cs1x136.62 (16)
O9iv—Cs2—Lu1iii111.71 (6)Cs3—O5—Cs1x59.09 (7)
Si1iv—Cs2—Lu1iii90.34 (2)Cs2x—O5—Cs1x61.39 (7)
O2ii—Cs2—Si1127.90 (9)Si1—O5—Cs3vii59.13 (14)
O9iii—Cs2—Si1118.19 (8)Lu1—O5—Cs3vii101.90 (14)
O6—Cs2—Si1102.32 (9)Cs3—O5—Cs3vii160.28 (14)
O8—Cs2—Si158.07 (7)Cs2x—O5—Cs3vii59.13 (7)
O5iii—Cs2—Si1116.48 (8)Cs1x—O5—Cs3vii103.28 (9)
O7—Cs2—Si117.58 (8)Si1—O5—Cs277.40 (17)
Si3—Cs2—Si143.03 (3)Lu1—O5—Cs2101.36 (14)
Si2—Cs2—Si185.06 (3)Cs3—O5—Cs257.86 (7)
Si1iii—Cs2—Si1120.19 (3)Cs2x—O5—Cs2146.59 (12)
O3vii—Cs2—Si161.12 (7)Cs1x—O5—Cs285.27 (8)
Cs1—Cs2—Si1170.18 (2)Cs3vii—O5—Cs2134.35 (10)
O1—Cs2—Si162.13 (6)Si1—O5—Cs1xiv91.53 (18)
Cs3viii—Cs2—Si168.87 (2)Lu1—O5—Cs1xiv57.94 (10)
Cs3—Cs2—Si159.79 (2)Cs3—O5—Cs1xiv89.39 (10)
Si2v—Cs2—Si1121.47 (3)Cs2x—O5—Cs1xiv159.11 (13)
O4iii—Cs2—Si195.74 (6)Cs1x—O5—Cs1xiv138.73 (11)
O4i—Cs2—Si1128.22 (6)Cs3vii—O5—Cs1xiv110.33 (9)
Cs1xiv—Cs2—Si171.51 (2)Cs2—O5—Cs1xiv54.11 (5)
Lu1ii—Cs2—Si1126.07 (2)Si1—O5—Cs1xii92.82 (17)
O8v—Cs2—Si198.40 (6)Lu1—O5—Cs1xii57.75 (9)
O9iv—Cs2—Si1102.45 (6)Cs3—O5—Cs1xii143.79 (12)
Si1iv—Cs2—Si1107.75 (3)Cs2x—O5—Cs1xii77.86 (9)
Lu1iii—Cs2—Si191.76 (2)Cs1x—O5—Cs1xii138.65 (11)
O2ii—Cs2—Si3v60.35 (8)Cs3vii—O5—Cs1xii44.34 (4)
O9iii—Cs2—Si3v116.15 (8)Cs2—O5—Cs1xii134.69 (10)
O6—Cs2—Si3v96.95 (8)Cs1xiv—O5—Cs1xii82.57 (6)
O8—Cs2—Si3v108.11 (7)Si2—O6—Si1iv135.8 (2)
O5iii—Cs2—Si3v159.88 (8)Si2—O6—Cs294.35 (17)
O7—Cs2—Si3v99.75 (8)Si1iv—O6—Cs2125.96 (19)
Si3—Cs2—Si3v118.10 (3)Si2—O6—Cs397.1 (2)
Si2—Cs2—Si3v115.15 (3)Si1iv—O6—Cs383.32 (18)
Si1iii—Cs2—Si3v139.86 (3)Cs2—O6—Cs369.46 (10)
O3vii—Cs2—Si3v142.10 (7)Si2—O6—Cs3iii86.44 (18)
Cs1—Cs2—Si3v90.37 (2)Si1iv—O6—Cs3iii110.2 (2)
O1—Cs2—Si3v20.57 (6)Cs2—O6—Cs3iii87.13 (9)
Cs3viii—Cs2—Si3v107.82 (2)Cs3—O6—Cs3iii156.51 (11)
Cs3—Cs2—Si3v52.07 (2)Si2—O6—Cs1132.60 (19)
Si2v—Cs2—Si3v42.05 (3)Si1iv—O6—Cs186.99 (16)
O4iii—Cs2—Si3v137.98 (6)Cs2—O6—Cs161.75 (6)
O4i—Cs2—Si3v46.50 (6)Cs3—O6—Cs1109.44 (10)
Cs1xiv—Cs2—Si3v48.76 (2)Cs3iii—O6—Cs154.45 (6)
Lu1ii—Cs2—Si3v86.82 (2)Si2—O6—Cs1xiii49.41 (14)
O8v—Cs2—Si3v21.86 (6)Si1iv—O6—Cs1xiii104.59 (18)
O9iv—Cs2—Si3v58.92 (6)Cs2—O6—Cs1xiii126.75 (11)
Si1iv—Cs2—Si3v80.59 (3)Cs3—O6—Cs1xiii139.09 (11)
Lu1iii—Cs2—Si3v167.27 (2)Cs3iii—O6—Cs1xiii57.90 (7)
Si1—Cs2—Si3v82.63 (3)Cs1—O6—Cs1xiii111.00 (11)
O1—Cs3—O9iv100.78 (11)Si2—O6—Cs1x51.55 (15)
O1—Cs3—O563.24 (11)Si1iv—O6—Cs1x104.07 (18)
O9iv—Cs3—O5154.42 (12)Cs2—O6—Cs1x92.17 (11)
O1—Cs3—O463.56 (11)Cs3—O6—Cs1x49.00 (6)
O9iv—Cs3—O4131.81 (11)Cs3iii—O6—Cs1x137.84 (9)
O5—Cs3—O461.42 (11)Cs1—O6—Cs1x152.70 (12)
O1—Cs3—O3ix50.44 (10)Cs1xiii—O6—Cs1x90.58 (7)
O9iv—Cs3—O3ix58.46 (11)Si2—O6—Cs2iv103.2 (2)
O5—Cs3—O3ix112.92 (10)Si1iv—O6—Cs2iv64.81 (17)
O4—Cs3—O3ix80.24 (11)Cs2—O6—Cs2iv132.16 (13)
O1—Cs3—O8111.75 (11)Cs3—O6—Cs2iv147.93 (10)
O9iv—Cs3—O889.80 (10)Cs3iii—O6—Cs2iv50.83 (6)
O5—Cs3—O879.16 (10)Cs1—O6—Cs2iv73.98 (8)
O4—Cs3—O8138.25 (10)Cs1xiii—O6—Cs2iv53.83 (6)
O3ix—Cs3—O8131.18 (10)Cs1x—O6—Cs2iv133.32 (8)
O1—Cs3—O6111.83 (10)Si2—O6—Cs2xi113.05 (18)
O9iv—Cs3—O646.36 (10)Si1iv—O6—Cs2xi37.54 (14)
O5—Cs3—O6118.27 (10)Cs2—O6—Cs2xi115.84 (12)
O4—Cs3—O6175.22 (10)Cs3—O6—Cs2xi51.19 (5)
O3ix—Cs3—O695.85 (9)Cs3iii—O6—Cs2xi147.15 (11)
O8—Cs3—O643.48 (9)Cs1—O6—Cs2xi114.21 (8)
O1—Cs3—Cs1x137.68 (8)Cs1xiii—O6—Cs2xi114.35 (8)
O9iv—Cs3—Cs1x116.05 (8)Cs1x—O6—Cs2xi68.09 (6)
O5—Cs3—Cs1x74.79 (8)Cs2iv—O6—Cs2xi97.58 (7)
O4—Cs3—Cs1x101.55 (8)Si2—O6—Cs3iv105.48 (16)
O3ix—Cs3—Cs1x171.62 (7)Si1iv—O6—Cs3iv35.56 (12)
O8—Cs3—Cs1x51.87 (7)Cs2—O6—Cs3iv160.16 (11)
O6—Cs3—Cs1x82.71 (6)Cs3—O6—Cs3iv106.91 (8)
O1—Cs3—Si3v24.90 (8)Cs3iii—O6—Cs3iv94.37 (9)
O9iv—Cs3—Si3v78.98 (8)Cs1—O6—Cs3iv103.37 (9)
O5—Cs3—Si3v87.92 (8)Cs1xiii—O6—Cs3iv69.30 (6)
O4—Cs3—Si3v71.10 (9)Cs1x—O6—Cs3iv99.77 (7)
O3ix—Cs3—Si3v25.59 (7)Cs2iv—O6—Cs3iv43.78 (4)
O8—Cs3—Si3v123.47 (7)Cs2xi—O6—Cs3iv55.96 (4)
O6—Cs3—Si3v104.20 (7)Si2—O6—Cs2xiii17.22 (10)
Cs1x—Cs3—Si3v162.58 (3)Si1iv—O6—Cs2xiii118.63 (16)
O1—Cs3—Lu137.14 (8)Cs2—O6—Cs2xiii110.49 (10)
O9iv—Cs3—Lu1136.42 (8)Cs3—O6—Cs2xiii96.83 (9)
O5—Cs3—Lu136.96 (7)Cs3iii—O6—Cs2xiii93.24 (8)
O4—Cs3—Lu136.76 (7)Cs1—O6—Cs2xiii145.60 (10)
O3ix—Cs3—Lu179.34 (7)Cs1xiii—O6—Cs2xiii43.78 (3)
O8—Cs3—Lu1113.09 (7)Cs1x—O6—Cs2xiii47.91 (4)
O6—Cs3—Lu1140.02 (6)Cs2iv—O6—Cs2xiii95.49 (7)
Cs1x—Cs3—Lu1107.062 (14)Cs2xi—O6—Cs2xiii99.44 (7)
Si3v—Cs3—Lu157.44 (2)Cs3iv—O6—Cs2xiii89.20 (6)
O1—Cs3—Si1iv116.51 (8)Si3—O7—Si1133.0 (3)
O9iv—Cs3—Si1iv23.97 (8)Si3—O7—Cs290.35 (17)
O5—Cs3—Si1iv144.07 (9)Si1—O7—Cs2126.6 (2)
O4—Cs3—Si1iv153.85 (8)Si3—O7—Cs1vii79.85 (16)
O3ix—Cs3—Si1iv81.49 (7)Si1—O7—Cs1vii109.26 (19)
O8—Cs3—Si1iv67.60 (7)Cs2—O7—Cs1vii107.70 (11)
O6—Cs3—Si1iv25.86 (6)Si3—O7—Cs3viii116.20 (18)
Cs1x—Cs3—Si1iv94.03 (2)Si1—O7—Cs3viii106.73 (17)
Si3v—Cs3—Si1iv98.92 (3)Cs2—O7—Cs3viii64.09 (7)
Lu1—Cs3—Si1iv153.38 (3)Cs1vii—O7—Cs3viii58.27 (6)
O1—Cs3—Cs2xi127.70 (8)Si3—O7—Cs392.68 (16)
O9iv—Cs3—Cs2xi52.01 (9)Si1—O7—Cs382.41 (16)
O5—Cs3—Cs2xi153.55 (9)Cs2—O7—Cs363.04 (7)
O4—Cs3—Cs2xi99.79 (7)Cs1vii—O7—Cs3168.32 (12)
O3ix—Cs3—Cs2xi78.98 (7)Cs3viii—O7—Cs3118.79 (10)
O8—Cs3—Cs2xi111.58 (7)Si3—O7—Cs1x58.58 (13)
O6—Cs3—Cs2xi82.05 (6)Si1—O7—Cs1x82.85 (15)
Cs1x—Cs3—Cs2xi92.647 (13)Cs2—O7—Cs1x103.29 (10)
Si3v—Cs3—Cs2xi104.05 (3)Cs1vii—O7—Cs1x127.58 (11)
Lu1—Cs3—Cs2xi134.225 (14)Cs3viii—O7—Cs1x167.06 (12)
Si1iv—Cs3—Cs2xi58.23 (2)Cs3—O7—Cs1x52.75 (5)
O1—Cs3—Cs267.00 (8)Si3—O7—Cs2vii121.83 (18)
O9iv—Cs3—Cs275.21 (9)Si1—O7—Cs2vii60.47 (14)
O5—Cs3—Cs279.94 (9)Cs2—O7—Cs2vii128.36 (10)
O4—Cs3—Cs2126.81 (8)Cs1vii—O7—Cs2vii50.48 (5)
O3ix—Cs3—Cs283.30 (8)Cs3viii—O7—Cs2vii65.49 (6)
O8—Cs3—Cs251.14 (7)Cs3—O7—Cs2vii140.49 (10)
O6—Cs3—Cs249.52 (6)Cs1x—O7—Cs2vii127.45 (9)
Cs1x—Cs3—Cs2101.762 (14)Si3—O7—Cs3xiii33.75 (12)
Si3v—Cs3—Cs272.51 (2)Si1—O7—Cs3xiii116.53 (18)
Lu1—Cs3—Cs290.584 (12)Cs2—O7—Cs3xiii116.31 (10)
Si1iv—Cs3—Cs268.89 (2)Cs1vii—O7—Cs3xiii53.19 (6)
Cs2xi—Cs3—Cs2125.955 (16)Cs3viii—O7—Cs3xiii106.82 (9)
O1—Cs3—O6x106.20 (10)Cs3—O7—Cs3xiii122.78 (9)
O9iv—Cs3—O6x129.89 (11)Cs1x—O7—Cs3xiii75.41 (6)
O5—Cs3—O6x75.42 (11)Cs2vii—O7—Cs3xiii88.17 (7)
O4—Cs3—O6x43.01 (10)Si3—O7—Cs2x101.95 (16)
O3ix—Cs3—O6x111.89 (9)Si1—O7—Cs2x34.70 (11)
O8—Cs3—O6x116.91 (9)Cs2—O7—Cs2x126.23 (11)
O6—Cs3—O6x141.73 (6)Cs1vii—O7—Cs2x125.89 (10)
Cs1x—Cs3—O6x65.96 (6)Cs3viii—O7—Cs2x141.00 (10)
Si3v—Cs3—O6x112.22 (6)Cs3—O7—Cs2x64.24 (6)
Lu1—Cs3—O6x73.34 (6)Cs1x—O7—Cs2x48.17 (4)
Si1iv—Cs3—O6x131.56 (7)Cs2vii—O7—Cs2x88.32 (7)
Cs2xi—Cs3—O6x78.22 (6)Cs3xiii—O7—Cs2x100.28 (7)
Cs2—Cs3—O6x154.60 (6)Si3—O7—Cs1xiv145.31 (19)
O1—Cs3—O7xi142.13 (10)Si1—O7—Cs1xiv78.16 (15)
O9iv—Cs3—O7xi98.13 (10)Cs2—O7—Cs1xiv55.03 (6)
O5—Cs3—O7xi106.53 (10)Cs1vii—O7—Cs1xiv106.55 (9)
O4—Cs3—O7xi79.38 (10)Cs3viii—O7—Cs1xiv50.44 (4)
O3ix—Cs3—O7xi118.35 (10)Cs3—O7—Cs1xiv74.63 (6)
O8—Cs3—O7xi100.78 (9)Cs1x—O7—Cs1xiv125.86 (9)
O6—Cs3—O7xi105.00 (8)Cs2vii—O7—Cs1xiv84.31 (6)
Cs1x—Cs3—O7xi54.57 (6)Cs3xiii—O7—Cs1xiv157.05 (9)
Si3v—Cs3—O7xi135.48 (6)Cs2x—O7—Cs1xiv101.13 (7)
Lu1—Cs3—O7xi112.19 (6)Si3—O7—Cs3vii122.73 (17)
Si1iv—Cs3—O7xi93.14 (6)Si1—O7—Cs3vii21.86 (12)
Cs2xi—Cs3—O7xi48.82 (6)Cs2—O7—Cs3vii145.54 (11)
Cs2—Cs3—O7xi150.34 (6)Cs1vii—O7—Cs3vii89.11 (8)
O6x—Cs3—O7xi38.86 (8)Cs3viii—O7—Cs3vii103.78 (8)
O1—Cs3—Cs1ix69.56 (8)Cs3—O7—Cs3vii102.51 (8)
O9iv—Cs3—Cs1ix84.40 (8)Cs1x—O7—Cs3vii88.34 (7)
O5—Cs3—Cs1ix106.18 (8)Cs2vii—O7—Cs3vii44.34 (4)
O4—Cs3—Cs1ix47.54 (8)Cs3xiii—O7—Cs3vii97.92 (7)
O3ix—Cs3—Cs1ix44.94 (8)Cs2x—O7—Cs3vii44.05 (3)
O8—Cs3—Cs1ix174.19 (7)Cs1xiv—O7—Cs3vii91.78 (6)
O6—Cs3—Cs1ix130.72 (6)Si2—O8—Si3132.9 (2)
Cs1x—Cs3—Cs1ix131.185 (15)Si2—O8—Cs1x110.77 (19)
Si3v—Cs3—Cs1ix55.41 (2)Si3—O8—Cs1x93.66 (16)
Lu1—Cs3—Cs1ix71.536 (10)Si2—O8—Cs293.67 (16)
Si1iv—Cs3—Cs1ix106.66 (3)Si3—O8—Cs292.90 (17)
Cs2xi—Cs3—Cs1ix64.613 (12)Cs1x—O8—Cs2138.75 (13)
Cs2—Cs3—Cs1ix126.802 (14)Si2—O8—Cs3106.38 (17)
O6x—Cs3—Cs1ix67.30 (6)Si3—O8—Cs3120.04 (18)
O7xi—Cs3—Cs1ix80.07 (6)Cs1x—O8—Cs368.85 (8)
O1—Cs3—O779.30 (10)Cs2—O8—Cs372.67 (8)
O9iv—Cs3—O7118.83 (10)Si2—O8—Cs2xiii67.39 (13)
O5—Cs3—O741.93 (10)Si3—O8—Cs2xiii87.19 (15)
O4—Cs3—O7103.31 (9)Cs1x—O8—Cs2xiii68.13 (7)
O3ix—Cs3—O7122.38 (9)Cs2—O8—Cs2xiii152.92 (12)
O8—Cs3—O739.81 (9)Cs3—O8—Cs2xiii129.88 (11)
O6—Cs3—O776.39 (8)Si2—O8—Cs3xiii101.07 (15)
Cs1x—Cs3—O765.40 (6)Si3—O8—Cs3xiii38.67 (11)
Si3v—Cs3—O7100.27 (6)Cs1x—O8—Cs3xiii87.23 (8)
Lu1—Cs3—O773.32 (6)Cs2—O8—Cs3xiii121.08 (10)
Si1iv—Cs3—O7102.24 (6)Cs3—O8—Cs3xiii148.47 (11)
Cs2xi—Cs3—O7150.75 (6)Cs2xiii—O8—Cs3xiii49.74 (4)
Cs2—Cs3—O748.17 (6)Si2—O8—Cs1xiii22.24 (10)
O6x—Cs3—O7107.28 (8)Si3—O8—Cs1xiii114.30 (16)
O7xi—Cs3—O7118.79 (10)Cs1x—O8—Cs1xiii104.99 (10)
Cs1ix—Cs3—O7144.45 (6)Cs2—O8—Cs1xiii109.11 (9)
O1—Cs3—Si2x83.37 (8)Cs3—O8—Cs1xiii125.51 (10)
O9iv—Cs3—Si2x131.40 (9)Cs2xiii—O8—Cs1xiii47.69 (4)
O5—Cs3—Si2x69.40 (9)Cs3xiii—O8—Cs1xiii79.36 (6)
O4—Cs3—Si2x19.82 (8)Si2—O8—Cs1vii124.34 (17)
O3ix—Cs3—Si2x92.60 (8)Si3—O8—Cs1vii17.66 (11)
O8—Cs3—Si2x133.96 (7)Cs1x—O8—Cs1vii111.01 (10)
O6—Cs3—Si2x164.69 (6)Cs2—O8—Cs1vii77.66 (8)
Cs1x—Cs3—Si2x87.07 (2)Cs3—O8—Cs1vii122.06 (10)
Si3v—Cs3—Si2x88.85 (3)Cs2xiii—O8—Cs1vii96.71 (7)
Lu1—Cs3—Si2x54.30 (2)Cs3xiii—O8—Cs1vii47.13 (4)
Si1iv—Cs3—Si2x145.32 (3)Cs1xiii—O8—Cs1vii110.80 (7)
Cs2xi—Cs3—Si2x87.09 (2)Si2—O8—Cs3iii36.07 (12)
Cs2—Cs3—Si2x144.67 (2)Si3—O8—Cs3iii111.34 (16)
O6x—Cs3—Si2x23.68 (6)Cs1x—O8—Cs3iii146.83 (11)
O7xi—Cs3—Si2x59.69 (6)Cs2—O8—Cs3iii63.85 (6)
Cs1ix—Cs3—Si2x51.38 (2)Cs3—O8—Cs3iii112.60 (9)
O7—Cs3—Si2x109.57 (6)Cs2xiii—O8—Cs3iii90.91 (7)
O1—Cs3—Si2121.10 (8)Cs3xiii—O8—Cs3iii98.70 (6)
O9iv—Cs3—Si268.31 (8)Cs1xiii—O8—Cs3iii45.48 (3)
O5—Cs3—Si2101.67 (8)Cs1vii—O8—Cs3iii96.27 (6)
O4—Cs3—Si2159.68 (8)Si1—O9—Lu1xiii137.7 (2)
O3ix—Cs3—Si2118.59 (8)Si1—O9—Cs3vii107.17 (19)
O8—Cs3—Si222.61 (7)Lu1xiii—O9—Cs3vii111.71 (15)
O6—Cs3—Si223.29 (6)Si1—O9—Cs2x99.43 (19)
Cs1x—Cs3—Si261.02 (2)Lu1xiii—O9—Cs2x103.89 (15)
Si3v—Cs3—Si2122.23 (3)Cs3vii—O9—Cs2x78.56 (10)
Lu1—Cs3—Si2133.90 (2)Si1—O9—Cs1x87.21 (16)
Si1iv—Cs3—Si245.30 (3)Lu1xiii—O9—Cs1x73.42 (11)
Cs2xi—Cs3—Si291.84 (2)Cs3vii—O9—Cs1x140.36 (14)
Cs2—Cs3—Si254.15 (2)Cs2x—O9—Cs1x62.49 (8)
O6x—Cs3—Si2125.41 (6)Si1—O9—Cs2vii82.40 (17)
O7xi—Cs3—Si296.34 (6)Lu1xiii—O9—Cs2vii101.61 (14)
Cs1ix—Cs3—Si2151.80 (2)Cs3vii—O9—Cs2vii61.77 (8)
O7—Cs3—Si261.14 (6)Cs2x—O9—Cs2vii138.56 (12)
Si2x—Cs3—Si2148.01 (2)Cs1x—O9—Cs2vii157.83 (11)
O1—Cs3—Si172.06 (8)Si1—O9—Cs1vii73.68 (16)
O9iv—Cs3—Si1141.23 (9)Lu1xiii—O9—Cs1vii76.55 (11)
O5—Cs3—Si118.98 (8)Cs3vii—O9—Cs1vii112.61 (12)
O4—Cs3—Si180.28 (8)Cs2x—O9—Cs1vii168.03 (12)
O3ix—Cs3—Si1122.08 (7)Cs1x—O9—Cs1vii106.83 (9)
O8—Cs3—Si160.36 (7)Cs2vii—O9—Cs1vii51.41 (5)
O6—Cs3—Si199.67 (6)Si1—O9—Cs1xvi154.9 (2)
Cs1x—Cs3—Si166.26 (2)Lu1xiii—O9—Cs1xvi66.01 (10)
Si3v—Cs3—Si196.60 (3)Cs3vii—O9—Cs1xvi56.91 (6)
Lu1—Cs3—Si154.03 (2)Cs2x—O9—Cs1xvi60.38 (7)
Si1iv—Cs3—Si1125.54 (3)Cs1x—O9—Cs1xvi94.98 (8)
Cs2xi—Cs3—Si1158.23 (2)Cs2vii—O9—Cs1xvi102.73 (8)
Cs2—Cs3—Si166.87 (2)Cs1vii—O9—Cs1xvi128.74 (9)
O6x—Cs3—Si187.73 (6)Si1—O9—Cs345.19 (13)
O7xi—Cs3—Si1110.63 (6)Lu1xiii—O9—Cs3115.62 (13)
Cs1ix—Cs3—Si1124.85 (2)Cs3vii—O9—Cs3126.33 (12)
O7—Cs3—Si123.37 (6)Cs2x—O9—Cs367.01 (7)
Si2x—Cs3—Si186.50 (3)Cs1x—O9—Cs344.85 (4)
Si2—Cs3—Si182.77 (3)Cs2vii—O9—Cs3127.56 (9)
O1—Cs3—Lu1i75.95 (8)Cs1vii—O9—Cs3101.81 (7)
O9iv—Cs3—Lu1i28.40 (8)Cs1xvi—O9—Cs3125.13 (9)
O5—Cs3—Lu1i138.58 (8)Si1—O9—Cs3xiii103.09 (17)
O4—Cs3—Lu1i107.15 (8)Lu1xiii—O9—Cs3xiii35.53 (7)
O3ix—Cs3—Lu1i30.07 (7)Cs3vii—O9—Cs3xiii135.25 (12)
O8—Cs3—Lu1i111.64 (7)Cs2x—O9—Cs3xiii127.78 (11)
O6—Cs3—Lu1i69.75 (6)Cs1x—O9—Cs3xiii72.23 (6)
Cs1x—Cs3—Lu1i144.048 (14)Cs2vii—O9—Cs3xiii91.08 (8)
Si3v—Cs3—Lu1i52.12 (2)Cs1vii—O9—Cs3xiii47.25 (4)
Lu1—Cs3—Lu1i108.890 (9)Cs1xvi—O9—Cs3xiii101.38 (7)
Si1iv—Cs3—Lu1i51.75 (2)Cs3—O9—Cs3xiii98.38 (7)
Cs2xi—Cs3—Lu1i61.779 (9)
Symmetry codes: (i) x, y+1, z+1/2; (ii) x, y, z+1/2; (iii) x+1/2, y1/2, z+1/2; (iv) x+1/2, y+1/2, z+1/2; (v) x1/2, y+1/2, z; (vi) x, y, z+1; (vii) x+1/2, y1/2, z1/2; (viii) x, y1, z; (ix) x, y+1, z1/2; (x) x+1/2, y+1/2, z1/2; (xi) x, y+1, z; (xii) x, y, z1; (xiii) x+1/2, y+1/2, z; (xiv) x, y, z1/2; (xv) x, y+1, z1; (xvi) x+1/2, y+1/2, z1.
 

Acknowledgements

The authors thank Eiko Kobayashi and Yuko Suzuki for their assistance with the sample preparation.

Funding information

This work was supported in part by Mitsubishi Chemical Corporation (a joint research project of Tohoku University and Mitsubishi Chemical Corporation, J190002825).

References

First citationAmour, H. d', Denner, W. & Schulz, H. (1979). Acta Cryst. B35, 550–555.  CrossRef ICSD IUCr Journals Web of Science Google Scholar
First citationAnanias, D., Carlos, L. D. & Rocha, J. (2006). Opt. Mater. 28, 582–586.  Web of Science CrossRef CAS Google Scholar
First citationAnanias, D., Rainho, J. P., Ferreira, A., Lopes, M., Morais, C. M., Rocha, J. & Carlos, L. D. (2002). Chem. Mater. 14, 1767–1772.  Web of Science CrossRef ICSD CAS Google Scholar
First citationArlt, T. & Angel, R. J. (2000). Phys. Chem. Miner. 27, 719–731.  Web of Science CrossRef ICSD CAS Google Scholar
First citationBanks, E. & Kim, C. H. (1985). J. Electrochem. Soc. 132, 2617–2621.  CrossRef CAS Web of Science Google Scholar
First citationBruker (2018). BIS, APEX3, SAINT and SADABS. Bruker AXS inc., Madison, Wisconsin, USA.  Google Scholar
First citationDorenbos, P., van Eijk, C. W. E., Bos, A. J. J. & Melcher, C. L. (1994). J. Lumin. 60–61, 979–982.  CrossRef CAS Web of Science Google Scholar
First citationFilipenko, O. S., Ponomarev, V. I., Dimitrova, O.V. & Atovmyan, L. O. (1988). Kristallografiya, 33, 1122–1127.  CAS Google Scholar
First citationGagné, O. C. & Hawthorne, F. C. (2015). Acta Cryst. B71, 562–578.  Web of Science CrossRef IUCr Journals Google Scholar
First citationGelato, L. M. & Parthé, E. (1987). J. Appl. Cryst. 20, 139–143.  CrossRef Web of Science IUCr Journals Google Scholar
First citationKahlenberg, V., Mörtl, A. & Krüger, H. (2015). Z. Kristallogr. 230, 87–95.  Web of Science CrossRef ICSD CAS Google Scholar
First citationKim, C. H., Qiu, B. & Banks, E. (1985). J. Electrochem. Soc. 132, 1340–1345.  CrossRef CAS Web of Science Google Scholar
First citationKostova, M. H., Ananias, D., Paz, F. A. A., Ferreira, A., Rocha, J. & Carlos, L. D. (2007). J. Phys. Chem. B, 111, 3576–3582.  Web of Science CrossRef ICSD PubMed CAS Google Scholar
First citationLiebau, F. (1985). Structural Chemistry of Silicates. Berlin: Springer-Verlag.  Google Scholar
First citationMaksimov, B. A., Kalinin, V. R., Merinov, B. V., Ilyukhin, V. V. & Belov, N. V. (1980). Dokl. Akad. Nauk SSSR, 252, 875–879.  CAS Google Scholar
First citationMelcher, C. L. & Schweitzer, J. S. (1992). IEEE Trans. Nucl. Sci. 39, 502–505.  CrossRef CAS Web of Science Google Scholar
First citationMomma, K. & Izumi, F. (2011). J. Appl. Cryst. 44, 1272–1276.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationMorrison, G., Spagnuolo, N. R., Karakalos, S. G. & Zur Loye, H.-C. (2019). Inorg. Chem. 58, 8702–8709.  Web of Science CrossRef ICSD CAS PubMed Google Scholar
First citationPonomarev, V. I., Filipenko, O. S. & Atovmyan, L. O. (1988). Kristallografiya, 33, 98–104.  CAS Google Scholar
First citationRedhammer, G. J. & Roth, G. (2004). Z. Krist. Cryst. Mater. 219, 585–605.  Web of Science CrossRef ICSD CAS Google Scholar
First citationSaiki, A., Ishizawa, N., Mizutani, N. & Kato, M. (1985). Yogyo Kyokaishi 93, 649–654.  CrossRef ICSD CAS Google Scholar
First citationSchäfer, M. C., Zitzer, S. & Schleid, T. (2012). Z. Kristallogr. 227, 476–482.  Google Scholar
First citationShannon, R. D., Gier, T. E., Foris, C. M., Nelen, J. A. & Appelman, D. E. (1980). Phys. Chem. Miner. 5, 245–253.  CAS Google Scholar
First citationSheldrick, G. M. (2015a). Acta Cryst. A71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
First citationSheldrick, G. M. (2015b). Acta Cryst. C71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
First citationSimura, R. & Yamane, H. (2020a). Acta Cryst. E76, 752–755.  Web of Science CrossRef ICSD IUCr Journals Google Scholar
First citationSimura, R. & Yamane, H. (2020b). Acta Cryst. E76, 1708–1711.  Web of Science CrossRef ICSD IUCr Journals Google Scholar
First citationSpek, A. L. (2020). Acta Cryst. E76, 1–11.  Web of Science CrossRef IUCr Journals Google Scholar
First citationTöbbens, D. M., Kahlenberg, V. & Kaindl, R. (2005). Inorg. Chem. 44, 9554–9560.  Web of Science PubMed Google Scholar
First citationTsai, K.-R., Harris, P. M. & Lassettre, E. N. (1956). J. Phys. Chem. 60, 338–344.  CrossRef ICSD CAS Web of Science Google Scholar
First citationWestrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationWierzbicka-Wieczorek, M., Kolitsch, U., Nasdala, L. & Tillmanns, E. (2010). Miner. Mag. 74, 979–990.  CAS Google Scholar
First citationZhang, Z., Wang, Y. & Zhang, J. (2008b). Mater. Lett. 62, 846–848.  Web of Science CrossRef CAS Google Scholar
First citationZhang, Z., Wang, Y., Zhang, J. & Hao, Y. (2008a). Mater. Res. Bull. 43, 926–931.  Web of Science CrossRef CAS Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds