# Fileset

[printcif_Na2Ca2Si2O7.pdf](https://mdr.nims.go.jp/filesets/117560f5-bf29-4cd4-9179-3a2f83431852/download)

## Creator

[Yukinori Koyama](https://orcid.org/0000-0002-7090-4430), Hidekazu Ikeno, Masamichi Harada, Shiro Funahashi, [Takashi Takeda](https://orcid.org/0000-0003-2510-4562), Naoto Hirosaki

## Rights

Creative Commons BY Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Rapid discovery of new Eu2+-activated phosphors with a designed luminescence color using a data-driven approach](https://mdr.nims.go.jp/datasets/135a07a6-821d-4480-8f76-44d867b2e074)

## Fulltext

research papers1publCIFTitleEnter author details here Abstract  Table 1Experimental details Crystal dataChemical formula Ca2Na2O7Si2Mr 294.32Crystal system, space groupMonoclinic, C2/cTemperature (K) 301a, b, c (Å) 26.3012 (2), 10.35356 (7), 10.4059 (1)β (°) 111.9077 (8)V (Å3) 2629.01 (4)Z 16Radiation type Mo Kαµ (mm−1) 2.23Crystal size (mm) 0.08 × 0.07 × 0.04Data collectionDiffractometer ROD, Synergy Custom system, HyPix-Arc 150Absorption correction Gaussian CrysAlis PRO 1.171.42.63a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.Tmin, Tmax 0.913, 1.000No. of measured, independent andobserved [I > 2σ(I)] reflections77077, 3992, 3827 Rint 0.021(sin θ/λ)max (Å−1) 0.714RefinementR[F2 > 2σ(F2)], wR(F2), S 0.045, 0.126, 1.08No. of reflections 3992No. of parameters 301No. of restraints 1w = 1/[σ2(Fo2) + (0.0573P)2 + 19.3698P] where P = (Fo2 + 2Fc2)/3Δρmax, Δρmin (e Å−3) 1.56, −1.65Computer programs: CrysAlis PRO 1.171.42.63a (Rigaku OD, 2022), SHELXT (Sheldrick, 2015), SHELXL 2018/3 (Sheldrick, 2015), Olex2 1.5-ac5-024 (Dolomanov et al., 2009). research papers2publCIFAcknowledgementsFunding informationReferencesDolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.Sheldrick, G. M. (2015). Acta Cryst. A71, 3-8.Sheldrick, G. M. (2015). Acta Cryst. C71, 3-8.Figure 1 supporting informationsup-1publCIFsupporting informationTitleComputing detailsData collection: CrysAlis PRO 1.171.42.63a (Rigaku OD, 2022); cell refinement: CrysAlis PRO 1.171.42.63a (Rigaku OD, 2022); data reduction: CrysAlis PRO 1.171.42.63a (Rigaku OD, 2022); program(s) used to solve structure: SHELXT (Sheldrick, 2015); program(s) used to refine structure: SHELXL 2018/3 (Sheldrick, 2015); molecular graphics: Olex2 1.5-ac5-024 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 1.5-ac5-024 (Dolomanov et al., 2009). (z00155420601r_pl_inc_om100_bkg1) Crystal data Ca2Na2O7Si2Mr = 294.32Monoclinic, C2/ca = 26.3012 (2) Åb = 10.35356 (7) Åc = 10.4059 (1) Åβ = 111.9077 (8)°V = 2629.01 (4) Å3Z = 16F(000) = 2336Dx = 2.974 Mg m−3Mo Kα radiation, λ = 0.71073 ÅCell parameters from 67107 reflectionsθ = 2.8–42.2°µ = 2.23 mm−1T = 301 KIrregular, colourless0.08 × 0.07 × 0.04 mmData collection ROD, Synergy Custom system, HyPix-Arc 150 diffractometerRadiation source: Rotating-anode X-ray tube, Rigaku (Mo) X-ray SourceMirror monochromatorDetector resolution: 10.0000 pixels mm-1ω scansAbsorption correction: gaussian CrysAlis PRO 1.171.42.63a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.Tmin = 0.913, Tmax = 1.00077077 measured reflections3992 independent reflections3827 reflections with I > 2σ(I)Rint = 0.021θmax = 30.5°, θmin = 2.1°h = −37→37k = −14→14l = −14→14Refinement Refinement on F2Least-squares matrix: fullR[F2 > 2σ(F2)] = 0.045wR(F2) = 0.126S = 1.083992 reflections301 parameters1 restraintPrimary atom site location: dualw = 1/[σ2(Fo2) + (0.0573P)2 + 19.3698P] where P = (Fo2 + 2Fc2)/3(Δ/σ)max < 0.001Δρmax = 1.56 e Å−3Δρmin = −1.65 e Å−3Extinction correction: SHELXL2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4Extinction coefficient: 0.00022 (7)supporting informationsup-2publCIFSpecial details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq Occ. (<1)Ca01 0.000000 0.000000 0.000000 0.0233 (3) 0.189 (3)Na01 0.000000 0.000000 0.000000 0.0233 (3) 0.811 (3)Ca02 0.1602 (3) 0.0040 (5) 0.1856 (8) 0.0132 (7) 0.2722 (18)Na02 0.1661 (3) 0.0074 (6) 0.1780 (7) 0.0283 (15) 0.7278 (18)Na03 0.32090 (7) 0.26365 (16) 0.06695 (19) 0.0397 (4)Na04 0.000000 0.7651 (3) 0.250000 0.0539 (7)Ca05 0.000000 0.26281 (7) 0.250000 0.01472 (18) 0.913 (3)Na05 0.000000 0.26281 (7) 0.250000 0.01472 (18) 0.087 (3)Ca06 0.42287 (6) 0.24675 (15) 0.41603 (10) 0.0136 (2) 0.7174 (18)Na06 0.4235 (4) 0.2463 (9) 0.3883 (8) 0.0136 (2) 0.2826 (18)Ca07 0.17694 (4) 0.45652 (9) 0.18498 (10) 0.02250 (18) 0.8943 (18)Na07 0.1681 (9) 0.481 (2) 0.178 (2) 0.02250 (18) 0.1057 (18)Ca08 0.000000 0.500000 0.000000 0.0188 (2) 0.650 (3)Na08 0.000000 0.500000 0.000000 0.0188 (2) 0.350 (3)Ca9A 0.16917 (18) 0.24221 (18) 0.4323 (4) 0.0154 (4) 0.701 (18)Ca9B 0.1506 (6) 0.2526 (3) 0.3912 (14) 0.0205 (17) 0.299 (18)Ca10 0.2494 (3) 0.0119 (6) 0.4827 (5) 0.0163 (7) 0.2404 (18)Na10 0.24967 (19) 0.0054 (5) 0.0150 (4) 0.0411 (11) 0.7596 (18)Si01 0.40489 (3) 0.02042 (6) 0.14457 (7) 0.01056 (15)Si02 0.40782 (3) 0.49175 (6) 0.14140 (7) 0.01120 (15)Si03 0.26493 (3) 0.24526 (6) 0.26421 (8) 0.01494 (16)Si04 0.08028 (3) 0.24588 (6) 0.04246 (10) 0.01830 (18)O01 0.06668 (9) 0.1252 (2) 0.3857 (2) 0.0280 (5)O02 0.06042 (10) 0.4119 (2) 0.3946 (2) 0.0295 (5)O03 0.43287 (10) 0.4288 (3) 0.2918 (2) 0.0318 (5)O04 0.15786 (8) 0.0092 (2) 0.4102 (3) 0.0328 (5)O05 0.01959 (9) 0.2683 (2) 0.0344 (3) 0.0312 (5)O06 0.24395 (10) 0.3300 (2) 0.1246 (2) 0.0305 (5)O07 0.41853 (13) 0.3932 (2) 0.0291 (3) 0.0388 (6)O08 0.23984 (9) 0.3070 (2) 0.3699 (2) 0.0275 (5)O09 0.15833 (10) 0.4808 (3) 0.4112 (4) 0.0497 (8)O10 0.33165 (10) 0.2539 (3) 0.3403 (3) 0.0455 (8)O11 0.24989 (13) 0.0950 (2) 0.2323 (5) 0.0609 (11)O12 0.12818 (12) 0.2478 (3) 0.1889 (4) 0.0559 (10)O13A 0.4171 (3) 0.0399 (7) 0.3073 (4) 0.0278 (17) 0.530 (15)O13B 0.4397 (3) 0.0863 (6) 0.2910 (5) 0.0243 (19) 0.470 (15)O14A 0.4132 (4) 0.1701 (10) 0.104 (2) 0.040 (4) 0.37 (2)O14B 0.4001 (3) 0.1394 (6) 0.0300 (10) 0.0314 (18) 0.63 (2)Atomic displacement parameters (Å2) U11 U22 U33 U12 U13 U23Ca01 0.0148 (6) 0.0305 (7) 0.0202 (6) −0.0015 (5) 0.0014 (5) 0.0108 (5)supporting informationsup-3publCIFNa01 0.0148 (6) 0.0305 (7) 0.0202 (6) −0.0015 (5) 0.0014 (5) 0.0108 (5)Ca02 0.0153 (13) 0.0098 (13) 0.0187 (15) −0.0009 (9) 0.0109 (12) −0.0006 (10)Na02 0.027 (2) 0.037 (2) 0.0202 (16) −0.0084 (13) 0.0078 (14) −0.0028 (12)Na03 0.0277 (7) 0.0429 (9) 0.0569 (10) −0.0087 (6) 0.0255 (7) −0.0181 (7)Na04 0.0473 (15) 0.0641 (17) 0.0413 (14) 0.000 0.0063 (12) 0.000Ca05 0.0169 (4) 0.0126 (3) 0.0095 (3) 0.000 −0.0011 (3) 0.000Na05 0.0169 (4) 0.0126 (3) 0.0095 (3) 0.000 −0.0011 (3) 0.000Ca06 0.0091 (3) 0.0136 (3) 0.0153 (6) 0.00025 (18) 0.0013 (4) −0.0004 (4)Na06 0.0091 (3) 0.0136 (3) 0.0153 (6) 0.00025 (18) 0.0013 (4) −0.0004 (4)Ca07 0.0194 (4) 0.0237 (4) 0.0183 (3) 0.0056 (2) −0.0001 (3) −0.0040 (3)Na07 0.0194 (4) 0.0237 (4) 0.0183 (3) 0.0056 (2) −0.0001 (3) −0.0040 (3)Ca08 0.0226 (5) 0.0157 (4) 0.0147 (4) −0.0059 (3) 0.0031 (3) 0.0022 (3)Na08 0.0226 (5) 0.0157 (4) 0.0147 (4) −0.0059 (3) 0.0031 (3) 0.0022 (3)Ca9A 0.0156 (10) 0.0191 (4) 0.0108 (8) 0.0009 (5) 0.0040 (8) −0.0008 (4)Ca9B 0.029 (4) 0.0106 (9) 0.028 (3) −0.0025 (11) 0.018 (3) 0.0000 (11)Ca10 0.0098 (12) 0.0243 (13) 0.0132 (13) −0.0024 (9) 0.0023 (10) −0.0090 (11)Na10 0.0089 (10) 0.061 (3) 0.048 (2) −0.0002 (14) 0.0045 (16) 0.0374 (19)Si01 0.0100 (3) 0.0102 (3) 0.0111 (3) 0.0008 (2) 0.0034 (2) 0.0014 (2)Si02 0.0094 (3) 0.0110 (3) 0.0129 (3) −0.0011 (2) 0.0039 (2) −0.0027 (2)Si03 0.0110 (3) 0.0124 (3) 0.0219 (4) 0.0017 (2) 0.0068 (3) 0.0035 (2)Si04 0.0133 (3) 0.0097 (3) 0.0356 (5) −0.0015 (2) 0.0135 (3) −0.0027 (3)O01 0.0290 (11) 0.0243 (10) 0.0263 (10) 0.0154 (8) 0.0051 (9) −0.0007 (8)O02 0.0311 (11) 0.0365 (12) 0.0190 (9) −0.0207 (10) 0.0071 (8) 0.0015 (8)O03 0.0358 (12) 0.0408 (13) 0.0125 (8) −0.0176 (10) 0.0019 (8) 0.0055 (8)O04 0.0105 (9) 0.0273 (11) 0.0575 (16) −0.0019 (8) 0.0091 (10) −0.0106 (11)O05 0.0121 (9) 0.0405 (13) 0.0426 (14) 0.0006 (8) 0.0122 (9) −0.0038 (10)O06 0.0331 (12) 0.0390 (13) 0.0234 (10) 0.0094 (10) 0.0152 (9) 0.0127 (9)O07 0.0730 (19) 0.0237 (11) 0.0283 (12) 0.0061 (12) 0.0289 (13) −0.0064 (9)O08 0.0283 (11) 0.0386 (12) 0.0170 (9) 0.0008 (9) 0.0103 (8) −0.0026 (9)O09 0.0116 (10) 0.0354 (14) 0.099 (3) 0.0001 (9) 0.0171 (13) −0.0183 (15)O10 0.0096 (10) 0.080 (2) 0.0424 (16) 0.0053 (11) 0.0052 (10) 0.0174 (14)O11 0.0431 (15) 0.0122 (10) 0.136 (3) 0.0002 (10) 0.0430 (19) −0.0081 (15)O12 0.0257 (14) 0.072 (2) 0.059 (2) −0.0075 (13) 0.0023 (13) −0.0342 (16)O13A 0.025 (3) 0.038 (3) 0.0168 (18) 0.004 (2) 0.0040 (17) −0.0114 (17)O13B 0.028 (3) 0.024 (3) 0.0147 (19) 0.007 (2) 0.0015 (18) −0.0075 (17)O14A 0.036 (4) 0.022 (4) 0.059 (11) 0.000 (3) 0.015 (5) 0.020 (5)O14B 0.043 (3) 0.022 (2) 0.031 (4) −0.0040 (19) 0.016 (3) 0.016 (2)Geometric parameters (Å, º) Ca01—Ca06i 3.2298 (15) Na06—O14A 2.98 (2)Ca01—Ca06ii 3.2298 (15) Ca07—Ca10viii 3.106 (6)Ca01—Si04iii 3.2307 (7) Ca07—Na10viii 3.038 (4)Ca01—Si04 3.2308 (7) Ca07—Si03 3.0652 (9)Ca01—O01iv 2.780 (3) Ca07—O06 2.458 (2)Ca01—O01v 2.780 (3) Ca07—O08 2.542 (2)Ca01—O03i 2.345 (2) Ca07—O09xiv 2.781 (4)Ca01—O03ii 2.345 (2) Ca07—O09 2.589 (4)Ca01—O05 2.824 (3) Ca07—O10viii 3.091 (4)Ca01—O05iii 2.824 (3) Ca07—O11viii 2.294 (3)Ca01—O07vi 2.527 (3) Ca07—O12 2.521 (4)Ca01—O07vii 2.527 (3) Ca07—O13Aviii 2.649 (8)supporting informationsup-4publCIFCa02—Ca10 3.107 (10) Ca07—O14Bvii 2.591 (11)Ca02—Si02i 2.978 (8) Na07—Na10viii 3.13 (2)Ca02—Si02vii 3.200 (8) Na07—Si01vii 3.18 (2)Ca02—Si03i 3.249 (6) Na07—Si01viii 3.15 (2)Ca02—O03i 2.663 (9) Na07—O06 2.748 (19)Ca02—O04iv 2.847 (9) Na07—O08 2.83 (2)Ca02—O04 2.362 (9) Na07—O09 2.54 (2)Ca02—O06i 3.128 (7) Na07—O09xiv 2.71 (2)Ca02—O07vii 2.638 (8) Na07—O10viii 2.83 (2)Ca02—O10i 2.620 (6) Na07—O11viii 2.33 (2)Ca02—O11 2.414 (9) Na07—O12 2.66 (2)Ca02—O12 2.665 (6) Na07—O13Aviii 2.38 (2)Na02—Ca10 3.110 (9) Na07—O14Bvii 2.56 (2)Na02—Na10 3.240 (7) Ca08—O02v 2.421 (3)Na02—Si02vii 3.163 (7) Ca08—O02xiv 2.421 (3)Na02—Si02i 3.171 (6) Ca08—O05 2.452 (3)Na02—Si03i 3.195 (6) Ca08—O05xi 2.452 (3)Na02—O03i 2.853 (7) Ca08—O13Aviii 2.384 (4)Na02—O04 2.504 (7) Ca08—O13Aii 2.384 (4)Na02—O04iv 2.720 (7) Ca08—O13Bii 2.339 (5)Na02—O07vii 2.660 (7) Ca08—O13Bviii 2.339 (5)Na02—O10i 2.633 (7) Ca08—O14Bix 3.115 (5)Na02—O11 2.253 (7) Ca08—O14Bvii 3.115 (5)Na02—O12 2.699 (7) Ca9A—Ca9B 0.527 (12)Na03—Ca10viii 3.095 (7) Ca9A—Ca10 3.096 (8)Na03—Na10 3.193 (5) Ca9A—Ca10xii 3.231 (7)Na03—Na10vii 2.951 (5) Ca9A—Si02i 3.2022 (19)Na03—Si02 3.1753 (16) Ca9A—Si03xii 2.985 (4)Na03—Si03 2.9447 (18) Ca9A—O01 2.827 (4)Na03—O04viii 2.595 (3) Ca9A—O04 2.431 (3)Na03—O06vii 2.299 (3) Ca9A—O08xii 2.559 (6)Na03—O06 2.415 (3) Ca9A—O08 2.286 (3)Na03—O09i 2.972 (3) Ca9A—O09 2.487 (4)Na03—O10 2.753 (4) Ca9A—O10xii 2.375 (4)Na03—O14A 2.507 (8) Ca9A—O12 2.354 (5)Na03—O14B 2.595 (5) Ca9B—Si01viii 3.090 (8)Na04—Na06viii 2.884 (9) Ca9B—Si02i 3.062 (5)Na04—Na06ix 2.884 (9) Ca9B—O01 2.552 (9)Na04—O03viii 2.599 (3) Ca9B—O02 2.899 (10)Na04—O03ix 2.599 (3) Ca9B—O04 2.529 (5)Na04—O05x 2.830 (3) Ca9B—O08 2.504 (9)Na04—O05xi 2.830 (3) Ca9B—O08xii 3.086 (17)Na04—O07viii 2.822 (3) Ca9B—O09 2.374 (4)Na04—O07ix 2.822 (3) Ca9B—O10xii 2.656 (12)Na04—O13Bviii 2.575 (10) Ca9B—O12 1.964 (13)Na04—O13Bix 2.575 (10) Ca10—Na10xv 0.379 (7)Na04—O14Aviii 2.430 (17) Ca10—O04 2.239 (7)Na04—O14Aix 2.430 (17) Ca10—O06i 2.229 (7)Ca05—Ca06xii 3.3079 (12) Ca10—O08xii 2.372 (7)Ca05—Ca06ii 3.3079 (12) Ca10—O09xii 2.262 (7)Ca05—Si01viii 3.5393 (8) Ca10—O11xv 2.819 (6)Ca05—Si01ix 3.5393 (8) Ca10—O11 2.748 (6)supporting informationsup-5publCIFCa05—Si04 3.5434 (8) Na10—O04iv 2.253 (5)Ca05—Si04v 3.5434 (8) Na10—O06vii 2.285 (5)Ca05—O01v 2.292 (2) Na10—O08i 2.342 (6)Ca05—O01 2.292 (2) Na10—O09i 2.263 (5)Ca05—O02 2.321 (2) Na10—O11 2.442 (6)Ca05—O02v 2.321 (2) Si01—O02i 1.593 (2)Ca05—O05 2.482 (3) Si01—O09i 1.597 (2)Ca05—O05v 2.482 (3) Si01—O13A 1.614 (4)Ca06—Ca08i 3.1753 (15) Si01—O13B 1.607 (5)Ca06—Ca9Bxii 3.262 (3) Si01—O14A 1.643 (7)Ca06—O01xii 2.381 (2) Si01—O14B 1.686 (4)Ca06—O02xii 2.476 (3) Si02—O01viii 1.606 (2)Ca06—O03 2.355 (3) Si02—O03 1.593 (2)Ca06—O05xiii 2.382 (3) Si02—O04viii 1.616 (2)Ca06—O10 2.230 (3) Si02—O07 1.653 (2)Ca06—O13A 2.400 (6) Si03—O06 1.609 (2)Ca06—O13B 2.254 (5) Si03—O08 1.611 (2)Na06—Ca08i 3.187 (10) Si03—O10 1.636 (3)Na06—Si01 3.349 (9) Si03—O11 1.609 (3)Na06—O01xii 2.630 (8) Si04—O05 1.584 (2)Na06—O02xii 2.694 (9) Si04—O07vii 1.627 (2)Na06—O03 2.196 (9) Si04—O12 1.574 (3)Na06—O05xiii 2.420 (10) Si04—O14Avii 1.814 (15)Na06—O10 2.279 (10) Si04—O14Bvii 1.593 (4)Na06—O13A 2.280 (11) O13A—O13B 0.829 (6)Na06—O13B 2.067 (10) O14A—O14B 0.780 (15)Ca06ii—Ca01—Ca06i 180.00 (5) O08—Ca9B—Si02i 129.5 (2)Ca06i—Ca01—Si04 106.87 (3) O08—Ca9B—O01 160.98 (15)Ca06ii—Ca01—Si04 73.13 (3) O08—Ca9B—O02 132.18 (14)Ca06ii—Ca01—Si04iii 106.87 (3) O08—Ca9B—O04 100.6 (4)Ca06i—Ca01—Si04iii 73.13 (3) O08—Ca9B—O08xii 59.4 (3)Si04iii—Ca01—Si04 180.0 O08—Ca9B—O10xii 107.2 (6)O01v—Ca01—Ca06ii 45.93 (5) O09—Ca9B—Ca06xii 89.75 (12)O01v—Ca01—Ca06i 134.07 (5) O09—Ca9B—Si01viii 30.55 (14)O01iv—Ca01—Ca06i 45.93 (5) O09—Ca9B—Si02i 155.6 (5)O01iv—Ca01—Ca06ii 134.07 (5) O09—Ca9B—O01 124.2 (4)O01iv—Ca01—Si04 86.64 (4) O09—Ca9B—O02 58.46 (19)O01v—Ca01—Si04iii 86.64 (4) O09—Ca9B—O04 169.5 (8)O01iv—Ca01—Si04iii 93.36 (4) O09—Ca9B—O08xii 96.0 (4)O01v—Ca01—Si04 93.36 (4) O09—Ca9B—O08 74.40 (18)O01iv—Ca01—O01v 180.00 (9) O09—Ca9B—O10xii 87.6 (3)O01v—Ca01—O05iii 113.49 (6) O10xii—Ca9B—Ca06xii 42.75 (7)O01v—Ca01—O05 66.51 (6) O10xii—Ca9B—Si01viii 92.27 (11)O01iv—Ca01—O05iii 66.51 (6) O10xii—Ca9B—Si02i 88.76 (16)O01iv—Ca01—O05 113.49 (6) O10xii—Ca9B—O02 79.96 (10)O03ii—Ca01—Ca06ii 46.72 (6) O10xii—Ca9B—O08xii 53.3 (3)O03i—Ca01—Ca06i 46.72 (6) O12—Ca9B—Ca06xii 130.5 (6)O03i—Ca01—Ca06ii 133.28 (6) O12—Ca9B—Si01viii 87.4 (5)O03ii—Ca01—Ca06i 133.28 (6) O12—Ca9B—Si02i 85.5 (3)O03i—Ca01—Si04 83.86 (7) O12—Ca9B—O01 93.0 (5)O03ii—Ca01—Si04 96.14 (7) O12—Ca9B—O02 96.2 (6)supporting informationsup-6publCIFO03i—Ca01—Si04iii 96.14 (7) O12—Ca9B—O04 92.4 (2)O03ii—Ca01—Si04iii 83.86 (7) O12—Ca9B—O08xii 132.4 (4)O03i—Ca01—O01v 97.40 (7) O12—Ca9B—O08 80.02 (14)O03ii—Ca01—O01v 82.60 (7) O12—Ca9B—O09 95.8 (4)O03i—Ca01—O01iv 82.60 (7) O12—Ca9B—O10xii 172.7 (5)O03ii—Ca01—O01iv 97.40 (7) Ca02—Ca10—Na02 3.7 (3)O03ii—Ca01—O03i 180.00 (19) Na03i—Ca10—Ca02 68.29 (19)O03ii—Ca01—O05iii 98.81 (8) Na03i—Ca10—Na02 70.58 (18)O03i—Ca01—O05 98.81 (8) Na03i—Ca10—Ca07i 102.23 (19)O03i—Ca01—O05iii 81.19 (8) Na03i—Ca10—Ca9A 106.5 (2)O03ii—Ca01—O05 81.19 (8) Ca07i—Ca10—Ca02 80.43 (19)O03i—Ca01—O07vi 97.56 (9) Ca07i—Ca10—Na02 76.99 (16)O03i—Ca01—O07vii 82.44 (9) Ca9A—Ca10—Ca02 68.79 (18)O03ii—Ca01—O07vii 97.56 (9) Ca9A—Ca10—Na02 70.27 (18)O03ii—Ca01—O07vi 82.44 (9) Ca9A—Ca10—Ca07i 125.14 (16)O05—Ca01—Ca06i 134.26 (5) Na10xv—Ca10—Ca02 128.9 (18)O05—Ca01—Ca06ii 45.74 (5) Na10xv—Ca10—Na02 132.1 (18)O05iii—Ca01—Ca06i 45.74 (5) Na10xv—Ca10—Na03i 64.4 (16)O05iii—Ca01—Ca06ii 134.26 (5) Na10xv—Ca10—Ca07i 127.0 (19)O05—Ca01—Si04iii 150.64 (4) Na10xv—Ca10—Ca9A 107.5 (18)O05—Ca01—Si04 29.36 (4) Na10xv—Ca10—O04 87.4 (17)O05iii—Ca01—Si04iii 29.36 (4) Na10xv—Ca10—O06i 93.8 (18)O05iii—Ca01—Si04 150.64 (4) Na10xv—Ca10—O08xii 80.9 (17)O05—Ca01—O05iii 180.0 Na10xv—Ca10—O09xii 85.5 (17)O07vi—Ca01—Ca06i 95.02 (6) Na10xv—Ca10—O11 169.9 (19)O07vii—Ca01—Ca06ii 95.02 (6) Na10xv—Ca10—O11xv 5.2 (17)O07vi—Ca01—Ca06ii 84.98 (6) O04—Ca10—Ca02 49.2 (2)O07vii—Ca01—Ca06i 84.98 (6) O04—Ca10—Na02 52.83 (18)O07vii—Ca01—Si04 29.75 (5) O04—Ca10—Na03i 55.46 (15)O07vi—Ca01—Si04iii 29.75 (5) O04—Ca10—Ca07i 128.8 (2)O07vii—Ca01—Si04iii 150.25 (5) O04—Ca10—Ca9A 51.18 (16)O07vi—Ca01—Si04 150.25 (5) O04—Ca10—O08xii 94.7 (3)O07vii—Ca01—O01v 123.07 (7) O04—Ca10—O09xii 171.2 (3)O07vii—Ca01—O01iv 56.93 (7) O04—Ca10—O11 94.0 (2)O07vi—Ca01—O01iv 123.07 (7) O04—Ca10—O11xv 86.6 (2)O07vi—Ca01—O01v 56.93 (7) O06i—Ca10—Ca02 69.56 (19)O07vi—Ca01—O05iii 57.47 (7) O06i—Ca10—Na02 68.53 (19)O07vi—Ca01—O05 122.53 (7) O06i—Ca10—Na03i 50.83 (14)O07vii—Ca01—O05 57.47 (7) O06i—Ca10—Ca07i 51.75 (14)O07vii—Ca01—O05iii 122.53 (7) O06i—Ca10—Ca9A 137.9 (3)O07vii—Ca01—O07vi 180.00 (15) O06i—Ca10—O04 95.5 (3)Ca10—Ca02—Si02vii 166.6 (3) O06i—Ca10—O08xii 168.3 (3)Ca10—Ca02—Si03i 71.0 (2) O06i—Ca10—O09xii 90.1 (3)Ca10—Ca02—O06i 41.89 (17) O06i—Ca10—O11xv 98.9 (2)Si02i—Ca02—Ca10 78.5 (2) O06i—Ca10—O11 76.17 (17)Si02i—Ca02—Si02vii 114.8 (3) O08xii—Ca10—Ca02 121.9 (3)Si02vii—Ca02—Si03i 104.31 (19) O08xii—Ca10—Na02 122.7 (3)Si02i—Ca02—Si03i 109.4 (2) O08xii—Ca10—Na03i 133.2 (2)Si02i—Ca02—O06i 96.8 (2) O08xii—Ca10—Ca07i 124.1 (2)O03i—Ca02—Ca10 107.3 (3) O08xii—Ca10—Ca9A 53.84 (17)O03i—Ca02—Si02i 32.21 (11) O08xii—Ca10—O11 108.9 (2)O03i—Ca02—Si02vii 86.0 (2) O08xii—Ca10—O11xv 75.89 (16)supporting informationsup-7publCIFO03i—Ca02—Si03i 105.5 (2) O09xii—Ca10—Ca02 139.5 (3)O03i—Ca02—O04iv 113.5 (3) O09xii—Ca10—Na02 135.9 (3)O03i—Ca02—O06i 109.1 (2) O09xii—Ca10—Na03i 125.1 (3)O03i—Ca02—O12 88.3 (2) O09xii—Ca10—Ca07i 59.99 (18)O04iv—Ca02—Ca10 136.7 (3) O09xii—Ca10—Ca9A 126.6 (3)O04—Ca02—Ca10 45.86 (19) O09xii—Ca10—O08xii 79.1 (2)O04iv—Ca02—Si02vii 30.30 (9) O09xii—Ca10—O11 94.0 (2)O04—Ca02—Si02i 32.73 (12) O09xii—Ca10—O11xv 85.9 (2)O04—Ca02—Si02vii 147.3 (3) O11xv—Ca10—Ca02 130.4 (3)O04iv—Ca02—Si02i 144.5 (3) O11—Ca10—Ca02 48.22 (19)O04—Ca02—Si03i 95.6 (2) O11xv—Ca10—Na02 133.8 (3)O04iv—Ca02—Si03i 84.64 (18) O11—Ca10—Na02 44.70 (15)O04—Ca02—O03i 63.5 (2) O11—Ca10—Na03i 108.4 (2)O04—Ca02—O04iv 177.0 (4) O11xv—Ca10—Na03i 67.96 (14)O04iv—Ca02—O06i 108.5 (2) O11—Ca10—Ca07i 45.64 (10)O04—Ca02—O06i 72.6 (2) O11xv—Ca10—Ca07i 131.0 (3)O04—Ca02—O07vii 121.8 (3) O11—Ca10—Ca9A 80.93 (16)O04—Ca02—O10i 99.1 (3) O11xv—Ca10—Ca9A 103.1 (2)O04—Ca02—O11 100.2 (3) O11—Ca10—O11xv 175.1 (3)O04—Ca02—O12 80.8 (2) Na03—Na10—Na02 112.10 (18)O06i—Ca02—Si02vii 132.7 (2) Na03vii—Na10—Na02 70.71 (15)O06i—Ca02—Si03i 29.14 (7) Na03vii—Na10—Na03 68.68 (12)O07vii—Ca02—Ca10 153.5 (3) Na03vii—Na10—Ca07i 121.47 (15)O07vii—Ca02—Si02vii 31.03 (10) Na03vii—Na10—Na07i 118.7 (5)O07vii—Ca02—Si02i 94.0 (2) Na03—Na10—Ca9Aiv 173.96 (17)O07vii—Ca02—Si03i 134.9 (3) Na03vii—Na10—Ca9Aiv 106.68 (15)O07vii—Ca02—O03i 74.6 (2) Ca07i—Na10—Na02 76.01 (14)O07vii—Ca02—O04iv 56.75 (17) Ca07i—Na10—Na03 81.83 (12)O07vii—Ca02—O06i 163.8 (3) Ca07i—Na10—Na07i 6.0 (3)O07vii—Ca02—O12 58.46 (15) Ca07i—Na10—Ca9Aiv 104.09 (15)O10i—Ca02—Ca10 93.9 (2) Na07i—Na10—Na02 79.1 (4)O10i—Ca02—Si02vii 86.5 (2) Na07i—Na10—Na03 75.9 (4)O10i—Ca02—Si02i 96.3 (2) Na07i—Na10—Ca9Aiv 110.0 (4)O10i—Ca02—Si03i 30.00 (8) Ca9Aiv—Na10—Na02 68.84 (15)O10i—Ca02—O03i 80.4 (2) Ca10iv—Na10—Na02 132.5 (19)O10i—Ca02—O04iv 79.7 (2) Ca10iv—Na10—Na03 111.2 (18)O10i—Ca02—O06i 54.44 (13) Ca10iv—Na10—Na03vii 109.0 (17)O10i—Ca02—O07vii 112.3 (3) Ca10iv—Na10—Ca07i 128.9 (17)O10i—Ca02—O12 167.3 (4) Ca10iv—Na10—Na07i 130.3 (18)O11—Ca02—Ca10 58.1 (2) Ca10iv—Na10—Ca9Aiv 66.1 (18)O11—Ca02—Si02vii 109.0 (3) Ca10iv—Na10—O04iv 82.9 (17)O11—Ca02—Si02i 131.1 (3) Ca10iv—Na10—O06vii 76.7 (17)O11—Ca02—Si03i 78.6 (2) Ca10iv—Na10—O08i 89.9 (18)O11—Ca02—O03i 163.3 (4) Ca10iv—Na10—O09i 84.9 (17)O11—Ca02—O04iv 82.8 (3) Ca10iv—Na10—O11 174.0 (19)O11—Ca02—O06i 66.5 (2) O04iv—Na10—Na02 55.94 (17)O11—Ca02—O07vii 114.4 (3) O04iv—Na10—Na03 126.4 (2)O11—Ca02—O10i 107.2 (3) O04iv—Na10—Na03vii 57.98 (13)O11—Ca02—O12 85.3 (2) O04iv—Na10—Ca07i 129.90 (18)O12—Ca02—Ca10 95.0 (2) O04iv—Na10—Na07i 134.1 (4)O12—Ca02—Si02i 76.6 (2) O04iv—Na10—Ca9Aiv 48.72 (13)O12—Ca02—Si02vii 86.9 (2) O04iv—Na10—O06vii 93.55 (19)supporting informationsup-8publCIFO12—Ca02—Si03i 162.6 (3) O04iv—Na10—O08i 95.1 (2)O12—Ca02—O04iv 99.8 (2) O04iv—Na10—O09i 166.8 (3)O12—Ca02—O06i 136.2 (3) O04iv—Na10—O11 96.07 (19)Ca10—Na02—Na10 100.1 (2) O06vii—Na10—Na02 123.6 (2)Ca10—Na02—Si02vii 173.8 (2) O06vii—Na10—Na03 46.03 (12)Ca10—Na02—Si02i 75.61 (18) O06vii—Na10—Na03vii 53.11 (12)Ca10—Na02—Si03i 71.71 (19) O06vii—Na10—Ca07i 127.5 (2)Si02vii—Na02—Na10 73.78 (15) O06vii—Na10—Na07i 121.5 (4)Si02i—Na02—Na10 174.6 (2) O06vii—Na10—Ca9Aiv 128.21 (18)Si02vii—Na02—Si02i 110.54 (19) O06vii—Na10—O08i 163.0 (2)Si02vii—Na02—Si03i 106.45 (18) O06vii—Na10—O11 109.3 (2)Si02i—Na02—Si03i 106.01 (18) O08i—Na10—Na02 73.23 (16)Si03i—Na02—Na10 69.16 (15) O08i—Na10—Na03 134.30 (18)O03i—Na02—Ca10 102.5 (2) O08i—Na10—Na03vii 143.14 (19)O03i—Na02—Na10 151.7 (3) O08i—Na10—Ca07i 54.55 (10)O03i—Na02—Si02i 30.08 (8) O08i—Na10—Na07i 60.2 (4)O03i—Na02—Si02vii 83.61 (17) O08i—Na10—Ca9Aiv 51.72 (13)O03i—Na02—Si03i 102.38 (18) O08i—Na10—O11 84.31 (15)O04iv—Na02—Ca10 143.3 (3) O09i—Na10—Na02 132.2 (2)O04—Na02—Ca10 45.43 (17) O09i—Na10—Na03vii 131.8 (2)O04iv—Na02—Na10 43.35 (12) O09i—Na10—Na03 63.33 (14)O04—Na02—Na10 145.5 (3) O09i—Na10—Ca07i 56.20 (13)O04iv—Na02—Si02vii 30.74 (8) O09i—Na10—Na07i 53.2 (4)O04—Na02—Si02vii 140.7 (2) O09i—Na10—Ca9Aiv 120.8 (2)O04—Na02—Si02i 30.29 (9) O09i—Na10—O06vii 88.66 (19)O04iv—Na02—Si02i 140.6 (2) O09i—Na10—O08i 79.68 (18)O04iv—Na02—Si03i 87.78 (17) O09i—Na10—O11 95.5 (2)O04—Na02—Si03i 94.15 (19) O11—Na10—Na02 43.98 (15)O04—Na02—O03i 59.05 (15) O11—Na10—Na03vii 75.15 (15)O04iv—Na02—O03i 111.6 (2) O11—Na10—Na03 74.14 (15)O04—Na02—O04iv 170.6 (3) O11—Na10—Ca07i 48.00 (11)O04—Na02—O07vii 115.6 (2) O11—Na10—Na07i 47.3 (5)O04—Na02—O10i 95.2 (2) O11—Na10—Ca9Aiv 108.85 (17)O04—Na02—O12 77.67 (19) Na03—Si01—Ca07i 76.78 (4)O07vii—Na02—Ca10 151.5 (3) Na03—Si01—Ca07vii 64.34 (4)O07vii—Na02—Na10 96.0 (2) Ca07vii—Si01—Ca07i 105.48 (3)O07vii—Na02—Si02i 89.29 (18) Na07i—Si01—Na03 74.9 (4)O07vii—Na02—Si02vii 31.50 (9) Na07vii—Si01—Na03 69.8 (3)O07vii—Na02—Si03i 136.5 (2) Na07vii—Si01—Ca07i 107.7 (4)O07vii—Na02—O03i 71.22 (17) Na07i—Si01—Ca07i 5.1 (4)O07vii—Na02—O04iv 58.11 (15) Na07i—Si01—Ca07vii 108.4 (4)O07vii—Na02—O12 57.79 (15) Na07vii—Si01—Ca07vii 5.5 (3)O10i—Na02—Ca10 93.6 (2) Na07i—Si01—Na07vii 111.0 (6)O10i—Na02—Na10 85.3 (2) Ca9Bi—Si01—Na03 114.8 (2)O10i—Na02—Si02vii 87.05 (19) Ca9Bi—Si01—Ca07i 61.03 (6)O10i—Na02—Si02i 91.59 (19) Ca9Bi—Si01—Ca07vii 81.1 (3)O10i—Na02—Si03i 30.73 (9) Ca9Bi—Si01—Na07vii 78.2 (5)O10i—Na02—O03i 76.72 (17) Ca9Bi—Si01—Na07i 65.9 (4)O10i—Na02—O04iv 81.84 (19) O02i—Si01—Na03 152.22 (9)O10i—Na02—O07vii 111.2 (2) O02i—Si01—Ca07vii 89.94 (8)O10i—Na02—O12 160.2 (3) O02i—Si01—Ca07i 122.84 (10)O11—Na02—Ca10 59.1 (2) O02i—Si01—Na07vii 84.5 (3)supporting informationsup-9publCIFO11—Na02—Na10 48.84 (18) O02i—Si01—Na07i 126.3 (4)O11—Na02—Si02vii 115.0 (3) O02i—Si01—Ca9Bi 68.03 (15)O11—Na02—Si02i 129.1 (3) O02i—Si01—O09i 110.14 (16)O11—Na02—Si03i 81.99 (19) O02i—Si01—O13A 116.60 (18)O11—Na02—O03i 159.2 (3) O02i—Si01—O13B 111.3 (2)O11—Na02—O04 100.6 (3) O02i—Si01—O14A 117.0 (5)O11—Na02—O04iv 88.8 (2) O02i—Si01—O14B 103.5 (2)O11—Na02—O07vii 119.5 (3) O09i—Si01—Na03 65.73 (11)O11—Na02—O10i 111.9 (2) O09i—Si01—Ca07i 49.42 (14)O11—Na02—O12 87.7 (2) O09i—Si01—Ca07vii 56.99 (13)O12—Na02—Ca10 94.2 (2) O09i—Si01—Na07vii 58.6 (4)O12—Na02—Na10 111.2 (2) O09i—Si01—Na07i 53.1 (4)O12—Na02—Si02vii 87.13 (19) O09i—Si01—Ca9Bi 49.1 (3)O12—Na02—Si02i 72.83 (16) O09i—Si01—O13A 100.7 (3)O12—Na02—Si03i 165.5 (3) O09i—Si01—O13B 126.9 (3)O12—Na02—O03i 83.82 (18) O09i—Si01—O14A 111.6 (4)O12—Na02—O04iv 102.2 (2) O09i—Si01—O14B 97.9 (3)Ca10viii—Na03—Na10 113.01 (19) O13A—Si01—Na03 90.83 (17)Ca10viii—Na03—Si02 75.75 (14) O13A—Si01—Ca07i 51.7 (3)Na10vii—Na03—Ca10viii 6.66 (13) O13A—Si01—Ca07vii 151.20 (19)Na10vii—Na03—Na10 111.32 (12) O13A—Si01—Na07vii 155.7 (4)Na10vii—Na03—Si02 77.63 (10) O13A—Si01—Na07i 47.6 (5)Na10vii—Na03—O09i 153.94 (12) O13A—Si01—Ca9Bi 98.0 (4)Si02—Na03—Na10 170.99 (11) O13A—Si01—O14A 99.3 (9)Si03—Na03—Ca10viii 75.35 (12) O13A—Si01—O14B 125.7 (4)Si03—Na03—Na10 69.48 (8) O13B—Si01—Na03 90.05 (17)Si03—Na03—Na10vii 80.20 (9) O13B—Si01—Ca07vii 150.7 (2)Si03—Na03—Si02 112.31 (5) O13B—Si01—Ca07i 80.3 (3)Si03—Na03—O09i 90.48 (8) O13B—Si01—Na07vii 155.2 (4)O04viii—Na03—Ca10viii 45.28 (14) O13B—Si01—Na07i 75.8 (5)O04viii—Na03—Na10vii 47.41 (11) O13B—Si01—Ca9Bi 124.8 (4)O04viii—Na03—Na10 158.22 (12) O13B—Si01—O13A 29.8 (2)O04viii—Na03—Si02 30.47 (5) O13B—Si01—O14A 76.3 (8)O04viii—Na03—Si03 98.39 (8) O13B—Si01—O14B 103.1 (5)O04viii—Na03—O09i 158.63 (10) O14A—Si01—Na03 49.3 (3)O04viii—Na03—O10 90.31 (11) O14A—Si01—Ca07i 120.1 (5)O06—Na03—Ca10viii 45.68 (14) O14A—Si01—Ca07vii 76.2 (8)O06vii—Na03—Ca10viii 90.12 (14) O14A—Si01—Na07vii 79.5 (9)O06—Na03—Na10vii 49.18 (10) O14A—Si01—Na07i 116.3 (7)O06vii—Na03—Na10vii 84.73 (12) O14A—Si01—Ca9Bi 156.5 (7)O06—Na03—Na10 77.71 (11) O14A—Si01—O14B 27.1 (5)O06vii—Na03—Na10 45.68 (10) O14B—Si01—Na03 52.59 (17)O06—Na03—Si02 108.75 (8) O14B—Si01—Ca07vii 50.6 (4)O06vii—Na03—Si02 139.38 (9) O14B—Si01—Ca07i 129.00 (16)O06—Na03—Si03 33.09 (6) O14B—Si01—Na07vii 53.3 (6)O06vii—Na03—Si03 100.07 (8) O14B—Si01—Na07i 127.4 (4)O06vii—Na03—O04viii 123.89 (12) O14B—Si01—Ca9Bi 131.5 (4)O06—Na03—O04viii 82.53 (9) Ca02viii—Si02—Ca02vii 114.7 (2)O06vii—Na03—O06 85.18 (10) Ca02viii—Si02—Na02vii 111.29 (16)O06vii—Na03—O09i 72.93 (10) Ca02viii—Si02—Na02viii 0.9 (3)O06—Na03—O09i 114.11 (10) Ca02viii—Si02—Na03 68.82 (12)O06—Na03—O10 61.74 (8) Ca02vii—Si02—Na04xvi 115.29 (11)supporting informationsup-10publCIFO06vii—Na03—O10 129.58 (10) Ca02viii—Si02—Na04xvi 111.00 (14)O06—Na03—O14A 157.8 (5) Ca02vii—Si02—Ca9Aviii 71.42 (12)O06vii—Na03—O14A 109.4 (5) Ca02viii—Si02—Ca9Aviii 68.97 (13)O06—Na03—O14B 166.11 (13) Ca02viii—Si02—Ca9Bviii 68.88 (13)O06vii—Na03—O14B 92.2 (2) Na02viii—Si02—Ca02vii 113.96 (16)O09i—Na03—Ca10viii 155.84 (15) Na02vii—Si02—Ca02vii 3.5 (3)O09i—Na03—Na10 42.89 (10) Na02vii—Si02—Na02viii 110.53 (19)O09i—Na03—Si02 128.25 (7) Na02viii—Si02—Na03 68.78 (11)O10—Na03—Ca10viii 91.57 (12) Na02vii—Si02—Na03 69.00 (12)O10—Na03—Na10vii 98.01 (11) Na02viii—Si02—Na04xvi 111.86 (12)O10—Na03—Na10 88.38 (11) Na02vii—Si02—Na04xvi 116.89 (11)O10—Na03—Si02 89.32 (8) Na02vii—Si02—Ca9Aviii 70.15 (13)O10—Na03—Si03 33.16 (6) Na02viii—Si02—Ca9Aviii 68.17 (11)O10—Na03—O09i 86.55 (12) Na03—Si02—Ca02vii 71.61 (14)O14A—Na03—Ca10viii 146.1 (2) Na03—Si02—Na04xvi 85.62 (5)O14A—Na03—Na10 100.1 (3) Na03—Si02—Ca9Aviii 102.15 (9)O14A—Na03—Na10vii 145.68 (19) Ca9Aviii—Si02—Na04xvi 171.29 (10)O14A—Na03—Si02 71.5 (3) Ca9Bviii—Si02—Ca02vii 79.1 (3)O14A—Na03—Si03 125.2 (4) Ca9Bviii—Si02—Na02vii 78.2 (3)O14A—Na03—O04viii 101.6 (3) Ca9Bviii—Si02—Na02viii 68.16 (12)O14A—Na03—O09i 57.8 (2) Ca9Bviii—Si02—Na03 110.1 (3)O14A—Na03—O10 96.2 (5) Ca9Bviii—Si02—Na04xvi 162.0 (3)O14A—Na03—O14B 17.5 (3) Ca9Bviii—Si02—Ca9Aviii 9.3 (2)O14B—Na03—Ca10viii 148.13 (16) O01viii—Si02—Ca02vii 84.62 (15)O14B—Na03—Na10 90.71 (19) O01viii—Si02—Ca02viii 116.99 (14)O14B—Na03—Na10vii 144.25 (14) O01viii—Si02—Na02viii 116.63 (14)O14B—Na03—Si02 81.97 (19) O01viii—Si02—Na02vii 86.92 (14)O14B—Na03—Si03 135.12 (13) O01viii—Si02—Na03 155.08 (9)O14B—Na03—O04viii 110.00 (17) O01viii—Si02—Na04xvi 112.03 (10)O14B—Na03—O09i 52.29 (13) O01viii—Si02—Ca9Aviii 61.93 (11)O14B—Na03—O10 110.9 (2) O01viii—Si02—Ca9Bviii 56.41 (19)Na06ix—Na04—Na06viii 172.3 (4) O01viii—Si02—O04viii 108.06 (13)O03ix—Na04—Na06ix 46.9 (2) O01viii—Si02—O07 102.38 (13)O03viii—Na04—Na06viii 46.9 (2) O03—Si02—Ca02viii 62.95 (18)O03ix—Na04—Na06viii 140.5 (2) O03—Si02—Ca02vii 155.83 (14)O03viii—Na04—Na06ix 140.5 (2) O03—Si02—Na02viii 63.84 (15)O03viii—Na04—O03ix 98.57 (14) O03—Si02—Na02vii 154.17 (14)O03viii—Na04—O05xi 76.97 (7) O03—Si02—Na03 86.08 (9)O03viii—Na04—O05x 112.63 (8) O03—Si02—Na04xvi 51.91 (10)O03ix—Na04—O05xi 112.63 (8) O03—Si02—Ca9Aviii 124.01 (12)O03ix—Na04—O05x 76.97 (7) O03—Si02—Ca9Bviii 118.4 (2)O03viii—Na04—O07viii 58.18 (7) O03—Si02—O01viii 118.52 (12)O03ix—Na04—O07ix 58.18 (7) O03—Si02—O04viii 111.78 (14)O03ix—Na04—O07viii 85.05 (10) O03—Si02—O07 108.97 (14)O03viii—Na04—O07ix 85.05 (10) O04viii—Si02—Ca02viii 52.19 (18)O05xi—Na04—Na06viii 50.10 (19) O04viii—Si02—Ca02vii 62.67 (18)O05xi—Na04—Na06ix 128.68 (19) O04viii—Si02—Na02vii 59.30 (15)O05x—Na04—Na06viii 128.68 (19) O04viii—Si02—Na02viii 51.39 (16)O05x—Na04—Na06ix 50.10 (19) O04viii—Si02—Na03 54.50 (9)O05xi—Na04—O05x 165.97 (16) O04viii—Si02—Na04xvi 139.50 (10)O07viii—Na04—Na06ix 94.83 (19) O04viii—Si02—Ca9Aviii 47.77 (12)O07ix—Na04—Na06ix 88.80 (19) O04viii—Si02—Ca9Bviii 55.6 (3)supporting informationsup-11publCIFO07viii—Na04—Na06viii 88.80 (19) O04viii—Si02—O07 106.10 (15)O07ix—Na04—Na06viii 94.83 (19) O07—Si02—Ca02viii 138.89 (15)O07viii—Na04—O05x 54.45 (7) O07—Si02—Ca02vii 55.37 (15)O07viii—Na04—O05xi 134.12 (8) O07—Si02—Na02viii 138.97 (15)O07ix—Na04—O05x 134.12 (8) O07—Si02—Na02vii 57.21 (15)O07ix—Na04—O05xi 54.45 (7) O07—Si02—Na03 70.47 (11)O07viii—Na04—O07ix 123.89 (15) O07—Si02—Na04xvi 59.98 (10)O13Bix—Na04—Na06viii 128.5 (2) O07—Si02—Ca9Aviii 126.14 (12)O13Bviii—Na04—Na06viii 44.1 (2) O07—Si02—Ca9Bviii 132.6 (2)O13Bviii—Na04—Na06ix 128.5 (2) Ca02viii—Si03—Na03vii 108.91 (14)O13Bix—Na04—Na06ix 44.1 (2) Ca02viii—Si03—Ca07i 120.21 (14)O13Bviii—Na04—O03viii 86.69 (12) Na02viii—Si03—Ca02viii 3.4 (2)O13Bix—Na04—O03viii 174.70 (15) Na02viii—Si03—Na03vii 109.58 (12)O13Bix—Na04—O03ix 86.69 (12) Na02viii—Si03—Ca07i 122.76 (12)O13Bviii—Na04—O03ix 174.70 (15) Na03—Si03—Ca02viii 68.19 (15)O13Bviii—Na04—O05xi 67.79 (11) Na03—Si03—Na02viii 71.31 (12)O13Bviii—Na04—O05x 101.68 (13) Na03—Si03—Na03vii 66.68 (5)O13Bix—Na04—O05x 67.79 (11) Na03—Si03—Ca07i 81.28 (4)O13Bix—Na04—O05xi 101.68 (13) Na03—Si03—Ca07 106.86 (5)O13Bix—Na04—O07ix 98.38 (12) Na03—Si03—Na07i 78.7 (4)O13Bviii—Na04—O07ix 122.05 (11) Na03—Si03—Ca9Axii 119.39 (7)O13Bix—Na04—O07viii 122.05 (11) Ca07—Si03—Ca02viii 78.82 (14)O13Bviii—Na04—O07viii 98.38 (12) Ca07—Si03—Na02viii 76.32 (12)O13Bix—Na04—O13Bviii 88.1 (2) Ca07i—Si03—Na03vii 103.52 (4)O14Aix—Na04—Na06viii 109.1 (5) Ca07—Si03—Na03vii 65.84 (4)O14Aix—Na04—Na06ix 67.6 (5) Ca07—Si03—Ca07i 160.91 (3)O14Aviii—Na04—Na06viii 67.6 (5) Ca07—Si03—Na07i 166.4 (3)O14Aviii—Na04—Na06ix 109.1 (5) Na07i—Si03—Ca02viii 114.7 (4)O14Aviii—Na04—O03viii 80.3 (3) Na07i—Si03—Na02viii 117.3 (4)O14Aviii—Na04—O03ix 134.2 (3) Na07i—Si03—Na03vii 106.6 (4)O14Aix—Na04—O03viii 134.2 (3) Na07i—Si03—Ca07i 5.5 (3)O14Aix—Na04—O03ix 80.3 (3) Ca9Axii—Si03—Ca02viii 73.52 (14)O14Aix—Na04—O05x 111.6 (4) Ca9Axii—Si03—Na02viii 72.49 (12)O14Aix—Na04—O05xi 62.2 (4) Ca9Axii—Si03—Na03vii 173.76 (7)O14Aviii—Na04—O05x 62.2 (4) Ca9Axii—Si03—Ca07 109.61 (7)O14Aviii—Na04—O05xi 111.6 (4) Ca9Axii—Si03—Ca07i 79.57 (6)O14Aviii—Na04—O07ix 162.1 (4) Ca9Axii—Si03—Na07i 77.0 (4)O14Aviii—Na04—O07viii 55.2 (2) O06—Si03—Ca02viii 71.24 (17)O14Aix—Na04—O07viii 162.1 (4) O06—Si03—Na02viii 71.69 (15)O14Aix—Na04—O07ix 55.2 (2) O06—Si03—Na03 55.06 (9)O14Aviii—Na04—O13Bix 95.6 (4) O06—Si03—Na03vii 37.98 (10)O14Aix—Na04—O13Bix 47.2 (3) O06—Si03—Ca07i 128.28 (10)O14Aix—Na04—O13Bviii 95.6 (3) O06—Si03—Ca07 52.96 (9)O14Aviii—Na04—O13Bviii 47.2 (3) O06—Si03—Na07i 128.3 (4)O14Aix—Na04—O14Aviii 132.3 (4) O06—Si03—Ca9Axii 143.13 (11)Ca06ii—Ca05—Ca06xii 176.57 (6) O06—Si03—O08 108.10 (12)Ca06xii—Ca05—Si01viii 67.13 (3) O06—Si03—O10 110.58 (14)Ca06ii—Ca05—Si01ix 67.13 (3) O06—Si03—O11 111.47 (19)Ca06ii—Ca05—Si01viii 115.70 (3) O08—Si03—Ca02viii 86.63 (17)Ca06xii—Ca05—Si01ix 115.70 (3) O08—Si03—Na02viii 83.31 (14)Ca06ii—Ca05—Si04 68.26 (3) O08—Si03—Na03vii 115.07 (9)Ca06ii—Ca05—Si04v 111.56 (3) O08—Si03—Na03 152.75 (10)supporting informationsup-12publCIFCa06xii—Ca05—Si04v 68.25 (3) O08—Si03—Ca07 55.96 (9)Ca06xii—Ca05—Si04 111.56 (3) O08—Si03—Ca07i 122.11 (9)Si01viii—Ca05—Si01ix 82.20 (3) O08—Si03—Na07i 123.3 (4)Si01viii—Ca05—Si04 73.338 (17) O08—Si03—Ca9Axii 58.96 (11)Si01viii—Ca05—Si04v 111.18 (2) O08—Si03—O10 106.65 (15)Si01ix—Ca05—Si04 111.18 (2) O10—Si03—Ca02viii 53.21 (18)Si01ix—Ca05—Si04v 73.339 (17) O10—Si03—Na02viii 55.32 (17)Si04v—Ca05—Si04 174.33 (3) O10—Si03—Na03vii 133.63 (12)O01—Ca05—Ca06ii 131.07 (6) O10—Si03—Na03 66.98 (12)O01v—Ca05—Ca06ii 46.04 (6) O10—Si03—Ca07i 67.92 (12)O01v—Ca05—Ca06xii 131.07 (6) O10—Si03—Ca07 131.06 (13)O01—Ca05—Ca06xii 46.04 (6) O10—Si03—Na07i 62.5 (4)O01—Ca05—Si01ix 161.71 (6) O10—Si03—Ca9Axii 52.50 (12)O01v—Ca05—Si01ix 89.29 (6) O11—Si03—Ca02viii 156.63 (19)O01v—Ca05—Si01viii 161.71 (6) O11—Si03—Na02viii 159.86 (16)O01—Ca05—Si01viii 89.29 (6) O11—Si03—Na03 93.85 (14)O01v—Ca05—Si04v 81.46 (6) O11—Si03—Na03vii 75.00 (16)O01v—Ca05—Si04 94.99 (6) O11—Si03—Ca07i 39.00 (12)O01—Ca05—Si04 81.46 (6) O11—Si03—Ca07 122.11 (12)O01—Ca05—Si04v 94.98 (6) O11—Si03—Na07i 44.4 (4)O01v—Ca05—O01 103.10 (12) O11—Si03—Ca9Axii 105.15 (17)O01—Ca05—O02 80.37 (9) O11—Si03—O08 113.10 (17)O01—Ca05—O02v 173.89 (9) O11—Si03—O10 106.83 (17)O01v—Ca05—O02v 80.37 (9) Ca01—Si04—Ca02 74.56 (14)O01v—Ca05—O02 173.89 (9) Ca01—Si04—Na02 77.03 (11)O01v—Ca05—O05 80.03 (8) Ca01—Si04—Ca07 161.67 (4)O01v—Ca05—O05v 101.64 (8) Ca02—Si04—Na02 3.4 (2)O01—Ca05—O05v 80.03 (8) Ca02—Si04—Ca07 92.61 (14)O01—Ca05—O05 101.64 (8) Na03vii—Si04—Ca01 120.16 (3)O02—Ca05—Ca06ii 134.76 (6) Na03vii—Si04—Ca02 70.57 (15)O02—Ca05—Ca06xii 48.37 (6) Na03vii—Si04—Na02 67.14 (11)O02v—Ca05—Ca06ii 48.37 (6) Na03vii—Si04—Ca07 65.39 (3)O02v—Ca05—Ca06xii 134.75 (6) Na04xi—Si04—Ca01 69.73 (5)O02v—Ca05—Si01viii 86.19 (7) Na04xi—Si04—Ca02 121.84 (14)O02—Ca05—Si01ix 86.19 (7) Na04xi—Si04—Na02 121.29 (13)O02v—Ca05—Si01ix 20.63 (5) Na04xi—Si04—Na03vii 89.75 (4)O02—Ca05—Si01viii 20.63 (5) Na04xi—Si04—Ca07 128.60 (6)O02—Ca05—Si04 90.48 (6) Ca07—Si04—Na02 90.77 (11)O02—Ca05—Si04v 93.29 (6) O05—Si04—Ca01 60.92 (10)O02v—Ca05—Si04v 90.48 (6) O05—Si04—Ca02 127.14 (18)O02v—Ca05—Si04 93.29 (6) O05—Si04—Na02 130.50 (15)O02v—Ca05—O02 96.63 (13) O05—Si04—Na03vii 157.03 (12)O02v—Ca05—O05v 104.34 (8) O05—Si04—Na04xi 68.71 (10)O02—Ca05—O05v 73.85 (8) O05—Si04—Ca07 121.73 (10)O02—Ca05—O05 104.34 (8) O05—Si04—O07vii 107.26 (15)O02v—Ca05—O05 73.85 (8) O05—Si04—O14Avii 107.1 (3)O05v—Ca05—Ca06xii 45.90 (6) O05—Si04—O14Bvii 111.4 (2)O05—Ca05—Ca06xii 134.21 (6) O07vii—Si04—Ca01 50.43 (11)O05v—Ca05—Ca06ii 134.21 (6) O07vii—Si04—Ca02 53.72 (17)O05—Ca05—Ca06ii 45.90 (6) O07vii—Si04—Na02 53.41 (15)O05—Ca05—Si01viii 84.37 (6) O07vii—Si04—Na03vii 69.74 (11)O05v—Ca05—Si01viii 93.65 (6) O07vii—Si04—Na04xi 68.14 (12)supporting informationsup-13publCIFO05—Ca05—Si01ix 93.65 (6) O07vii—Si04—Ca07 131.01 (12)O05v—Ca05—Si01ix 84.37 (6) O07vii—Si04—O14Avii 91.0 (6)O05v—Ca05—Si04v 22.88 (5) O12—Si04—Ca01 112.85 (15)O05v—Ca05—Si04 157.46 (5) O12—Si04—Ca02 54.47 (18)O05—Ca05—Si04 22.88 (5) O12—Si04—Na02 54.58 (17)O05—Ca05—Si04v 157.46 (5) O12—Si04—Na03vii 83.23 (14)O05—Ca05—O05v 177.38 (12) O12—Si04—Na04xi 172.87 (13)Ca01viii—Ca06—Ca05xii 70.30 (3) O12—Si04—Ca07 49.00 (14)Ca01viii—Ca06—Ca9Bxii 106.75 (13) O12—Si04—O05 118.42 (17)Na04xvi—Ca06—Ca01viii 68.18 (6) O12—Si04—O07vii 107.99 (16)Na04xvi—Ca06—Ca05xii 108.22 (4) O12—Si04—O14Avii 120.9 (5)Na04xvi—Ca06—Ca08i 73.79 (6) O12—Si04—O14Bvii 99.5 (4)Na04xvi—Ca06—Ca9Bxii 174.7 (2) O14Avii—Si04—Ca01 121.7 (6)Ca08i—Ca06—Ca01viii 107.84 (4) O14Avii—Si04—Ca02 120.4 (3)Ca08i—Ca06—Ca05xii 66.95 (3) O14Avii—Si04—Na02 117.1 (3)Ca08i—Ca06—Ca9Bxii 107.2 (2) O14Avii—Si04—Na03vii 51.3 (3)Ca9Bxii—Ca06—Ca05xii 68.0 (3) O14Avii—Si04—Na04xi 54.3 (5)O01xii—Ca06—Ca01viii 57.02 (7) O14Avii—Si04—Ca07 76.0 (6)O01xii—Ca06—Na04xvi 123.85 (9) O14Bvii—Si04—Ca01 146.5 (4)O01xii—Ca06—Ca05xii 43.85 (5) O14Bvii—Si04—Ca02 121.5 (2)O01xii—Ca06—Ca08i 110.75 (7) O14Bvii—Si04—Na02 118.1 (2)O01xii—Ca06—Ca9Bxii 50.90 (19) O14Bvii—Si04—Na03vii 53.50 (18)O01xii—Ca06—O02xii 75.57 (8) O14Bvii—Si04—Na04xi 77.1 (4)O01xii—Ca06—O05xiii 80.36 (9) O14Bvii—Si04—Ca07 51.7 (4)O01xii—Ca06—O13A 150.68 (18) O14Bvii—Si04—O07vii 112.2 (3)O02xii—Ca06—Ca01viii 114.60 (7) O14Bvii—Si04—O14Avii 25.4 (3)O02xii—Ca06—Na04xvi 121.44 (9) Ca01v—O01—Ca9A 147.10 (11)O02xii—Ca06—Ca05xii 44.49 (5) Ca05—O01—Ca01v 95.37 (8)O02xii—Ca06—Ca08i 48.83 (7) Ca05—O01—Ca06xii 90.11 (8)O02xii—Ca06—Ca9Bxii 58.8 (2) Ca05—O01—Na06xii 91.9 (2)O03—Ca06—Ca01viii 46.47 (6) Ca05—O01—Ca9A 107.50 (12)O03—Ca06—Na04xvi 54.48 (9) Ca05—O01—Ca9B 98.6 (3)O03—Ca06—Ca05xii 116.76 (8) Ca06xii—O01—Ca01v 77.05 (7)O03—Ca06—Ca08i 127.17 (8) Ca06xii—O01—Na06xii 3.6 (2)O03—Ca06—Ca9Bxii 123.29 (16) Ca06xii—O01—Ca9A 79.52 (8)O03—Ca06—O01xii 91.70 (10) Ca06xii—O01—Ca9B 82.72 (18)O03—Ca06—O02xii 160.90 (10) Na06xii—O01—Ca01v 73.7 (2)O03—Ca06—O05xiii 91.14 (10) Na06xii—O01—Ca9A 82.0 (2)O03—Ca06—O13A 117.11 (19) Ca9B—O01—Ca01v 155.4 (3)O05xiii—Ca06—Ca01viii 58.09 (7) Ca9B—O01—Na06xii 85.6 (3)O05xiii—Ca06—Na04xvi 60.09 (7) Ca9B—O01—Ca9A 9.6 (3)O05xiii—Ca06—Ca05xii 48.44 (7) Si02i—O01—Ca01v 92.60 (11)O05xiii—Ca06—Ca08i 49.89 (7) Si02i—O01—Ca05 134.48 (13)O05xiii—Ca06—Ca9Bxii 116.4 (3) Si02i—O01—Ca06xii 135.27 (13)O05xiii—Ca06—O02xii 72.94 (9) Si02i—O01—Na06xii 133.2 (2)O05xiii—Ca06—O13A 93.04 (16) Si02i—O01—Ca9A 87.99 (11)O10—Ca06—Ca01viii 123.57 (11) Si02i—O01—Ca9B 91.99 (16)O10—Ca06—Na04xvi 129.63 (9) Ca05—O02—Ca06xii 87.14 (8)O10—Ca06—Ca05xii 121.98 (9) Ca05—O02—Na06xii 89.7 (2)O10—Ca06—Ca08i 128.08 (11) Ca05—O02—Ca08v 97.92 (8)O10—Ca06—Ca9Bxii 54.0 (3) Ca05—O02—Ca9B 88.8 (2)O10—Ca06—O01xii 92.80 (11) Ca06xii—O02—Na06xii 4.4 (2)supporting informationsup-14publCIFO10—Ca06—O02xii 98.72 (10) Ca06xii—O02—Ca9B 74.28 (18)O10—Ca06—O03 96.04 (11) Na06xii—O02—Ca9B 77.9 (3)O10—Ca06—O05xiii 170.25 (11) Ca08v—O02—Ca06xii 80.84 (7)O10—Ca06—O13A 89.57 (18) Ca08v—O02—Na06xii 76.9 (2)O10—Ca06—O13B 103.7 (2) Ca08v—O02—Ca9B 153.9 (2)O13A—Ca06—Ca01viii 140.8 (2) Si01viii—O02—Ca05 128.47 (12)O13A—Ca06—Na04xvi 74.5 (2) Si01viii—O02—Ca06xii 136.30 (13)O13A—Ca06—Ca05xii 112.00 (12) Si01viii—O02—Na06xii 135.9 (2)O13A—Ca06—Ca08i 48.20 (11) Si01viii—O02—Ca08v 112.67 (13)O13A—Ca06—Ca9Bxii 110.1 (2) Si01viii—O02—Ca9B 81.33 (11)O13A—Ca06—O02xii 75.19 (17) Ca01viii—O03—Ca02viii 103.09 (18)O13B—Ca06—Ca01viii 121.1 (2) Ca01viii—O03—Na02viii 102.22 (16)O13B—Ca06—Na04xvi 54.4 (2) Ca01viii—O03—Na04xvi 92.03 (9)O13B—Ca06—Ca05xii 114.14 (13) Ca01viii—O03—Ca06 86.80 (8)O13B—Ca06—Ca08i 47.38 (12) Ca02viii—O03—Na02viii 1.2 (3)O13B—Ca06—Ca9Bxii 130.2 (3) Na04xvi—O03—Ca02viii 155.55 (16)O13B—Ca06—O01xii 157.96 (14) Na04xvi—O03—Na02viii 155.35 (16)O13B—Ca06—O02xii 87.46 (19) Ca06—O03—Ca02viii 83.73 (15)O13B—Ca06—O03 100.8 (2) Ca06—O03—Na02viii 82.79 (14)O13B—Ca06—O05xiii 81.30 (19) Ca06—O03—Na04xvi 77.99 (10)O13B—Ca06—O13A 20.22 (16) Na06—O03—Ca01viii 91.3 (2)Ca01viii—Na06—Si01 137.0 (3) Na06—O03—Ca02viii 87.0 (3)Na04xvi—Na06—Ca01viii 70.7 (2) Na06—O03—Na02viii 86.1 (3)Na04xvi—Na06—Ca08i 76.9 (2) Na06—O03—Na04xvi 73.4 (3)Na04xvi—Na06—Si01 66.50 (17) Na06—O03—Ca06 6.3 (2)Na04xvi—Na06—O14A 48.9 (2) Si02—O03—Ca01viii 132.20 (13)Ca08i—Na06—Ca01viii 107.1 (3) Si02—O03—Ca02viii 84.8 (2)Ca08i—Na06—Si01 67.13 (18) Si02—O03—Na02viii 86.07 (17)O01xii—Na06—Ca01viii 55.25 (18) Si02—O03—Na04xvi 99.23 (12)O01xii—Na06—Na04xvi 123.9 (4) Si02—O03—Ca06 140.95 (13)O01xii—Na06—Ca08i 103.9 (3) Si02—O03—Na06 136.5 (3)O01xii—Na06—Si01 165.6 (4) Ca02—O04—Ca02xv 175.2 (2)O01xii—Na06—O02xii 68.0 (2) Ca02—O04—Na02xv 172.51 (19)O01xii—Na06—O14A 165.0 (4) Ca02—O04—Na02 3.3 (3)O02xii—Na06—Ca01viii 108.0 (3) Ca02—O04—Na03i 89.09 (15)O02xii—Na06—Na04xvi 122.6 (4) Ca02—O04—Ca9A 93.95 (18)O02xii—Na06—Ca08i 47.71 (16) Ca02—O04—Ca9B 88.6 (3)O02xii—Na06—Si01 98.2 (3) Na02—O04—Ca02xv 173.42 (17)O02xii—Na06—O14A 126.9 (4) Na02xv—O04—Ca02xv 3.2 (3)O03—Na06—Ca01viii 46.20 (19) Na02—O04—Na02xv 170.3 (3)O03—Na06—Na04xvi 59.7 (2) Na02—O04—Na03i 89.31 (16)O03—Na06—Ca08i 133.8 (4) Na02—O04—Ca9B 87.9 (2)O03—Na06—Si01 105.3 (3) Na03i—O04—Ca02xv 86.40 (15)O03—Na06—O01xii 89.1 (3) Na03i—O04—Na02xv 84.95 (15)O03—Na06—O02xii 153.8 (4) Ca9A—O04—Ca02xv 89.80 (14)O03—Na06—O05xiii 94.1 (4) Ca9A—O04—Na02xv 90.32 (16)O03—Na06—O10 99.3 (4) Ca9A—O04—Na02 92.72 (17)O03—Na06—O13A 130.0 (4) Ca9A—O04—Na03i 161.63 (16)O03—Na06—O14A 76.0 (3) Ca9A—O04—Ca9B 12.0 (3)O05xiii—Na06—Ca01viii 57.6 (2) Ca9B—O04—Ca02xv 95.7 (2)O05xiii—Na06—Na04xvi 63.8 (2) Ca9B—O04—Na02xv 96.8 (3)O05xiii—Na06—Ca08i 49.57 (19) Ca9B—O04—Na03i 172.2 (3)supporting informationsup-15publCIFO05xiii—Na06—Si01 104.8 (3) Ca10—O04—Ca02xv 92.5 (2)O05xiii—Na06—O01xii 74.8 (3) Ca10—O04—Ca02 84.9 (2)O05xiii—Na06—O02xii 68.5 (2) Ca10—O04—Na02xv 89.5 (2)O05xiii—Na06—O14A 107.2 (4) Ca10—O04—Na02 81.7 (2)O10—Na06—Ca01viii 121.0 (4) Ca10—O04—Na03i 79.25 (18)O10—Na06—Na04xvi 140.2 (4) Ca10—O04—Ca9A 83.0 (2)O10—Na06—Ca08i 125.5 (4) Ca10—O04—Ca9B 93.1 (4)O10—Na06—Si01 90.8 (3) Ca10—O04—Na10xv 9.68 (17)O10—Na06—O01xii 85.5 (3) Na10xv—O04—Ca02 93.3 (2)O10—Na06—O02xii 91.5 (3) Na10xv—O04—Ca02xv 83.8 (2)O10—Na06—O05xiii 156.0 (4) Na10xv—O04—Na02xv 80.72 (18)O10—Na06—O13A 91.4 (4) Na10xv—O04—Na02 90.24 (19)O10—Na06—O14A 95.5 (4) Na10xv—O04—Na03i 74.60 (16)O13A—Na06—Ca01viii 147.2 (4) Na10xv—O04—Ca9A 87.12 (19)O13A—Na06—Na04xvi 81.3 (3) Na10xv—O04—Ca9B 98.1 (4)O13A—Na06—Ca08i 48.3 (2) Si02i—O04—Ca02 95.1 (2)O13A—Na06—Si01 25.30 (18) Si02i—O04—Ca02xv 87.03 (19)O13A—Na06—O01xii 140.7 (4) Si02i—O04—Na02xv 89.96 (17)O13A—Na06—O02xii 72.9 (3) Si02i—O04—Na02 98.33 (19)O13A—Na06—O05xiii 95.1 (4) Si02i—O04—Na03i 95.03 (11)O13A—Na06—O14A 54.4 (3) Si02i—O04—Ca9A 102.73 (15)O13B—Na06—Ca01viii 127.6 (5) Si02i—O04—Ca9B 92.6 (3)O13B—Na06—Na04xvi 60.0 (3) Si02i—O04—Ca10 174.3 (2)O13B—Na06—Ca08i 47.1 (2) Si02i—O04—Na10xv 166.5 (2)O13B—Na06—Si01 21.24 (19) Ca01—O05—Na04xi 78.10 (9)O13B—Na06—O01xii 150.9 (5) Ca05—O05—Ca01 90.15 (8)O13B—Na06—O02xii 85.8 (4) Ca05—O05—Na04xi 157.54 (10)O13B—Na06—O03 112.8 (4) Ca06ii—O05—Ca01 76.17 (8)O13B—Na06—O05xiii 84.3 (4) Ca06ii—O05—Na04xi 73.05 (7)O13B—Na06—O10 108.4 (5) Ca06ii—O05—Ca05 85.66 (7)O13B—Na06—O13A 21.3 (2) Ca06ii—O05—Na06ii 7.00 (19)O13B—Na06—O14A 42.2 (3) Ca06ii—O05—Ca08 82.11 (8)O14A—Na06—Ca01viii 112.6 (3) Na06ii—O05—Ca01 76.1 (2)O14A—Na06—Ca08i 87.8 (3) Na06ii—O05—Na04xi 66.11 (19)O14A—Na06—Si01 29.37 (16) Na06ii—O05—Ca05 92.66 (19)Na10viii—Ca07—Ca10viii 104.83 (10) Na06ii—O05—Ca08 81.7 (2)Na10viii—Ca07—Si03 73.51 (10) Ca08—O05—Ca01 157.77 (10)Na10viii—Ca07—O10viii 85.39 (12) Ca08—O05—Na04xi 91.16 (10)Si03—Ca07—Ca10viii 73.52 (12) Ca08—O05—Ca05 92.95 (8)Si03—Ca07—O10viii 139.24 (6) Si04—O05—Ca01 89.71 (11)O06—Ca07—Ca10viii 45.40 (13) Si04—O05—Na04xi 79.85 (10)O06—Ca07—Na10viii 96.33 (11) Si04—O05—Ca05 119.59 (14)O06—Ca07—Si03 31.49 (5) Si04—O05—Ca06ii 151.43 (16)O06—Ca07—O08 62.80 (7) Si04—O05—Na06ii 145.0 (2)O06—Ca07—O09xiv 74.41 (8) Si04—O05—Ca08 107.68 (12)O06—Ca07—O09 132.93 (9) Na03—O06—Ca02viii 76.61 (17)O06—Ca07—O10viii 123.06 (9) Na03vii—O06—Ca02viii 162.33 (17)O06—Ca07—O12 88.00 (10) Na03vii—O06—Na03 94.82 (10)O06—Ca07—O13Aviii 161.43 (14) Na03—O06—Ca07 164.20 (13)O06—Ca07—O14Bvii 88.80 (14) Na03vii—O06—Ca07 94.34 (10)O08—Ca07—Ca10viii 99.88 (13) Na03vii—O06—Na07 93.1 (5)O08—Ca07—Na10viii 48.63 (11) Na03—O06—Na07 161.8 (5)supporting informationsup-16publCIFO08—Ca07—Si03 31.68 (5) Ca07—O06—Ca02viii 90.99 (17)O08—Ca07—O09 70.21 (8) Ca07—O06—Na07 3.7 (5)O08—Ca07—O09xiv 137.18 (8) Na07—O06—Ca02viii 91.1 (5)O08—Ca07—O10viii 132.63 (8) Ca10viii—O06—Ca02viii 68.6 (2)O08—Ca07—O13Aviii 121.79 (11) Ca10viii—O06—Na03 83.48 (18)O08—Ca07—O14Bvii 119.89 (11) Ca10viii—O06—Na03vii 95.39 (18)O09—Ca07—Ca10viii 149.51 (13) Ca10viii—O06—Ca07 82.86 (17)O09xiv—Ca07—Ca10viii 44.76 (13) Ca10viii—O06—Na07 79.5 (5)O09—Ca07—Na10viii 46.59 (10) Ca10viii—O06—Na10vii 9.53 (18)O09xiv—Ca07—Na10viii 144.60 (11) Na10vii—O06—Ca02viii 74.88 (19)O09—Ca07—Si03 101.82 (7) Na10vii—O06—Na03vii 88.29 (14)O09xiv—Ca07—Si03 105.58 (7) Na10vii—O06—Na03 77.72 (14)O09—Ca07—O09xiv 152.60 (7) Na10vii—O06—Ca07 89.72 (14)O09xiv—Ca07—O10viii 72.62 (9) Na10vii—O06—Na07 86.2 (5)O09—Ca07—O10viii 87.01 (9) Si03—O06—Ca02viii 79.62 (16)O09—Ca07—O13Aviii 56.31 (11) Si03—O06—Na03vii 116.51 (15)O09—Ca07—O14Bvii 118.05 (12) Si03—O06—Na03 91.85 (11)O10viii—Ca07—Ca10viii 79.01 (13) Si03—O06—Ca07 95.55 (10)O11viii—Ca07—Ca10viii 58.91 (15) Si03—O06—Na07 99.2 (5)O11viii—Ca07—Na10viii 52.27 (14) Si03—O06—Ca10viii 148.1 (2)O11viii—Ca07—Si03 84.36 (7) Si03—O06—Na10vii 154.04 (19)O11viii—Ca07—O06 81.25 (10) Ca01xvii—O07—Ca02vii 98.9 (2)O11viii—Ca07—O08 83.04 (11) Ca01xvii—O07—Na02vii 102.95 (16)O11viii—Ca07—O09xiv 92.34 (13) Ca01xvii—O07—Na04xvi 83.29 (10)O11viii—Ca07—O09 90.85 (13) Ca02vii—O07—Na02vii 4.3 (3)O11viii—Ca07—O10viii 55.52 (9) Ca02vii—O07—Na04xvi 175.72 (18)O11viii—Ca07—O12 152.90 (13) Na02vii—O07—Na04xvi 173.42 (18)O11viii—Ca07—O13Aviii 116.54 (15) Si02—O07—Ca01xvii 100.99 (13)O11viii—Ca07—O14Bvii 147.09 (15) Si02—O07—Ca02vii 93.60 (19)O12—Ca07—Ca10viii 126.52 (14) Si02—O07—Na02vii 91.29 (17)O12—Ca07—Na10viii 104.96 (13) Si02—O07—Na04xvi 89.54 (11)O12—Ca07—Si03 73.83 (8) Si04vii—O07—Ca01xvii 99.82 (12)O12—Ca07—O08 69.93 (10) Si04vii—O07—Ca02vii 96.48 (18)O12—Ca07—O09xiv 108.68 (11) Si04vii—O07—Na02vii 97.18 (18)O12—Ca07—O09 78.39 (11) Si04vii—O07—Na04xvi 79.51 (12)O12—Ca07—O10viii 146.48 (9) Si04vii—O07—Si02 155.13 (18)O12—Ca07—O13Aviii 78.03 (14) Ca07—O08—Na07 3.7 (4)O12—Ca07—O14Bvii 56.41 (12) Ca07—O08—Ca9Axii 151.56 (11)O13Aviii—Ca07—Ca10viii 137.90 (15) Ca07—O08—Ca9Bxii 151.65 (11)O13Aviii—Ca07—Na10viii 99.03 (14) Na07—O08—Ca9Bxii 150.8 (5)O13Aviii—Ca07—Si03 147.58 (11) Ca9A—O08—Ca07 91.44 (14)O13Aviii—Ca07—O09xiv 98.37 (10) Ca9Axii—O08—Na07 150.8 (5)O13Aviii—Ca07—O10viii 68.81 (12) Ca9A—O08—Na07 89.4 (5)O14Bvii—Ca07—Ca10viii 92.08 (15) Ca9A—O08—Ca9Axii 109.20 (15)O14Bvii—Ca07—Na10viii 160.63 (13) Ca9A—O08—Ca9Bxii 109.08 (15)O14Bvii—Ca07—Si03 103.13 (11) Ca9Axii—O08—Ca9Bxii 0.12 (8)O14Bvii—Ca07—O09xiv 54.75 (10) Ca9A—O08—Ca9B 11.5 (2)O14Bvii—Ca07—O10viii 107.44 (11) Ca9A—O08—Ca10xii 87.80 (17)O14Bvii—Ca07—O13Aviii 73.33 (17) Ca9A—O08—Na10viii 93.74 (13)Na10viii—Na07—Si01vii 172.7 (9) Ca9B—O08—Ca07 80.6 (3)Na10viii—Na07—Si01viii 74.3 (5) Ca9B—O08—Na07 78.8 (6)Si01viii—Na07—Si01vii 111.0 (6) Ca9B—O08—Ca9Axii 120.7 (4)supporting informationsup-17publCIFO06—Na07—Na10viii 88.5 (5) Ca9B—O08—Ca9Bxii 120.6 (3)O06—Na07—Si01viii 146.9 (8) Ca10xii—O08—Ca07 83.97 (16)O06—Na07—Si01vii 89.1 (6) Ca10xii—O08—Na07 80.8 (5)O06—Na07—O08 55.7 (4) Ca10xii—O08—Ca9Axii 77.70 (18)O06—Na07—O10viii 122.4 (9) Ca10xii—O08—Ca9Bxii 77.69 (18)O08—Na07—Na10viii 45.9 (3) Ca10xii—O08—Ca9B 90.6 (2)O08—Na07—Si01vii 136.3 (7) Na10viii—O08—Ca07 76.81 (13)O08—Na07—Si01viii 93.3 (6) Na10viii—O08—Na07 73.9 (5)O08—Na07—O10viii 131.7 (8) Na10viii—O08—Ca9Axii 82.36 (13)O09—Na07—Na10viii 45.6 (4) Na10viii—O08—Ca9B 95.02 (16)O09xiv—Na07—Na10viii 142.9 (9) Na10viii—O08—Ca9Bxii 82.36 (14)O09—Na07—Si01vii 140.5 (8) Na10viii—O08—Ca10xii 9.20 (17)O09xiv—Na07—Si01viii 137.3 (7) Si03—O08—Ca07 92.36 (10)O09xiv—Na07—Si01vii 30.1 (2) Si03—O08—Na07 96.0 (4)O09—Na07—Si01viii 30.2 (3) Si03—O08—Ca9A 131.39 (14)O09xiv—Na07—O06 71.2 (5) Si03—O08—Ca9Axii 88.39 (10)O09—Na07—O06 122.1 (8) Si03—O08—Ca9B 127.4 (2)O09—Na07—O08 66.4 (5) Si03—O08—Ca9Bxii 88.47 (11)O09xiv—Na07—O08 126.8 (7) Si03—O08—Ca10xii 140.8 (2)O09—Na07—O09xiv 166.7 (8) Si03—O08—Na10viii 134.17 (17)O09—Na07—O10viii 93.9 (6) Ca07x—O09—Na03viii 74.62 (8)O09xiv—Na07—O10viii 77.9 (6) Ca07—O09—Na03viii 94.23 (11)O09—Na07—O12 76.9 (7) Ca07—O09—Ca07x 158.94 (11)O09—Na07—O14Bvii 121.2 (9) Ca07—O09—Na07x 164.6 (4)O10viii—Na07—Na10viii 88.3 (6) Na07x—O09—Na03viii 80.5 (4)O10viii—Na07—Si01viii 85.8 (5) Na07—O09—Na03viii 89.4 (5)O10viii—Na07—Si01vii 87.2 (6) Na07x—O09—Ca07x 6.8 (4)O11viii—Na07—Na10viii 50.5 (4) Na07—O09—Ca07x 159.8 (5)O11viii—Na07—Si01vii 122.2 (9) Na07—O09—Ca07 7.4 (4)O11viii—Na07—Si01viii 112.0 (8) Na07—O09—Na07x 166.6 (7)O11viii—Na07—O06 74.7 (6) Ca9A—O09—Na03viii 163.78 (15)O11viii—Na07—O08 76.4 (6) Ca9A—O09—Ca07x 99.82 (15)O11viii—Na07—O09xiv 93.4 (8) Ca9A—O09—Ca07 85.95 (10)O11viii—Na07—O09 91.4 (7) Ca9A—O09—Na07 92.1 (5)O11viii—Na07—O10viii 59.8 (5) Ca9A—O09—Na07x 95.1 (5)O11viii—Na07—O12 140.0 (8) Ca9B—O09—Na03viii 174.1 (3)O11viii—Na07—O13Aviii 126.7 (9) Ca9B—O09—Ca07x 107.4 (3)O11viii—Na07—O14Bvii 147.1 (10) Ca9B—O09—Ca07 82.12 (18)O12—Na07—Na10viii 99.3 (7) Ca9B—O09—Na07x 101.9 (5)O12—Na07—Si01viii 75.7 (6) Ca9B—O09—Na07 87.4 (5)O12—Na07—Si01vii 87.1 (6) Ca9B—O09—Ca9A 12.2 (3)O12—Na07—O06 79.6 (5) Ca10xii—O09—Na03viii 78.28 (18)O12—Na07—O08 63.8 (5) Ca10xii—O09—Ca07 85.12 (16)O12—Na07—O09xiv 106.8 (7) Ca10xii—O09—Ca07x 75.25 (17)O12—Na07—O10viii 157.2 (8) Ca10xii—O09—Na07x 79.7 (5)O13Aviii—Na07—Na10viii 102.7 (7) Ca10xii—O09—Na07 89.7 (5)O13Aviii—Na07—Si01viii 30.0 (3) Ca10xii—O09—Ca9A 85.6 (2)O13Aviii—Na07—Si01vii 81.9 (6) Ca10xii—O09—Ca9B 96.7 (4)O13Aviii—Na07—O06 158.3 (10) Ca10xii—O09—Na10viii 9.62 (17)O13Aviii—Na07—O08 120.7 (9) Na10viii—O09—Na03viii 73.77 (16)O13Aviii—Na07—O09xiv 107.3 (7) Na10viii—O09—Ca07x 82.47 (14)O13Aviii—Na07—O09 60.2 (5) Na10viii—O09—Ca07 77.20 (13)supporting informationsup-18publCIFO13Aviii—Na07—O10viii 77.0 (5) Na10viii—O09—Na07x 87.4 (5)O13Aviii—Na07—O12 80.3 (7) Na10viii—O09—Na07 81.2 (5)O13Aviii—Na07—O14Bvii 78.5 (7) Na10viii—O09—Ca9A 90.51 (19)O14Bvii—Na07—Na10viii 154.2 (9) Na10viii—O09—Ca9B 100.8 (4)O14Bvii—Na07—Si01vii 31.9 (3) Si01viii—O09—Na03viii 84.94 (12)O14Bvii—Na07—Si01viii 99.8 (7) Si01viii—O09—Ca07 102.66 (18)O14Bvii—Na07—O06 83.4 (6) Si01viii—O09—Ca07x 94.23 (14)O14Bvii—Na07—O08 111.0 (7) Si01viii—O09—Na07x 91.3 (5)O14Bvii—Na07—O09xiv 55.9 (5) Si01viii—O09—Na07 96.6 (5)O14Bvii—Na07—O10viii 116.7 (7) Si01viii—O09—Ca9A 110.88 (17)O14Bvii—Na07—O12 55.2 (5) Si01viii—O09—Ca9B 100.3 (4)Ca06viii—Ca08—Ca06ii 180.0 Si01viii—O09—Ca10xii 162.0 (2)O02xiv—Ca08—Ca06ii 129.67 (6) Si01viii—O09—Na10viii 158.6 (2)O02v—Ca08—Ca06ii 50.33 (6) Ca02viii—O10—Na02viii 4.3 (3)O02v—Ca08—Ca06viii 129.67 (6) Ca02viii—O10—Na03 80.7 (2)O02xiv—Ca08—Ca06viii 50.33 (6) Ca02viii—O10—Ca07i 169.0 (2)O02xiv—Ca08—O02v 180.00 (7) Ca02viii—O10—Na07i 167.7 (5)O02v—Ca08—O05 72.71 (7) Ca02viii—O10—Ca9Bxii 98.3 (2)O02v—Ca08—O05xi 107.29 (7) Na02viii—O10—Na03 83.40 (17)O02xiv—Ca08—O05 107.29 (7) Na02viii—O10—Ca07i 171.62 (19)O02xiv—Ca08—O05xi 72.71 (7) Na02viii—O10—Na07i 171.5 (5)O02xiv—Ca08—O14Bix 126.29 (8) Na02viii—O10—Ca9Bxii 95.83 (19)O02v—Ca08—O14Bix 53.71 (8) Na03—O10—Ca07i 88.43 (10)O02xiv—Ca08—O14Bvii 53.71 (8) Na03—O10—Na07i 88.3 (5)O02v—Ca08—O14Bvii 126.29 (8) Ca06—O10—Ca02viii 87.2 (2)O05xi—Ca08—Ca06ii 132.00 (6) Ca06—O10—Na02viii 90.46 (18)O05—Ca08—Ca06ii 48.00 (6) Ca06—O10—Na03 92.79 (10)O05xi—Ca08—Ca06viii 48.00 (6) Ca06—O10—Na06 7.4 (2)O05—Ca08—Ca06viii 132.00 (6) Ca06—O10—Ca07i 91.82 (11)O05—Ca08—O05xi 180.0 Ca06—O10—Na07i 87.8 (4)O05xi—Ca08—O14Bix 54.69 (10) Ca06—O10—Ca9Axii 93.26 (15)O05xi—Ca08—O14Bvii 125.31 (10) Ca06—O10—Ca9Bxii 83.3 (3)O05—Ca08—O14Bvii 54.69 (10) Na06—O10—Ca02viii 86.3 (3)O05—Ca08—O14Bix 125.31 (10) Na06—O10—Na02viii 89.9 (3)O13Aviii—Ca08—Ca06viii 48.64 (13) Na06—O10—Na03 85.4 (2)O13Aii—Ca08—Ca06viii 131.36 (13) Na06—O10—Ca07i 91.3 (3)O13Aii—Ca08—Ca06ii 48.64 (13) Na06—O10—Na07i 87.2 (5)O13Aviii—Ca08—Ca06ii 131.36 (13) Na06—O10—Ca9Axii 100.7 (2)O13Aii—Ca08—O02xiv 103.48 (13) Na06—O10—Ca9Bxii 90.7 (4)O13Aviii—Ca08—O02v 103.48 (13) Na07i—O10—Ca07i 4.0 (4)O13Aviii—Ca08—O02xiv 76.52 (13) Ca9Axii—O10—Ca02viii 96.7 (2)O13Aii—Ca08—O02v 76.52 (13) Ca9Axii—O10—Na02viii 93.68 (19)O13Aviii—Ca08—O05xi 91.71 (18) Ca9Axii—O10—Na03 173.31 (17)O13Aviii—Ca08—O05 88.29 (18) Ca9Axii—O10—Ca07i 94.24 (11)O13Aii—Ca08—O05 91.71 (18) Ca9Axii—O10—Na07i 94.8 (5)O13Aii—Ca08—O05xi 88.29 (18) Ca9Axii—O10—Ca9Bxii 10.19 (18)O13Aii—Ca08—O13Aviii 180.0 (3) Ca9Bxii—O10—Na03 176.0 (3)O13Aviii—Ca08—O14Bix 112.1 (3) Ca9Bxii—O10—Ca07i 92.45 (11)O13Aii—Ca08—O14Bvii 112.1 (3) Ca9Bxii—O10—Na07i 92.3 (5)O13Aviii—Ca08—O14Bvii 67.9 (3) Si03—O10—Ca02viii 96.8 (2)O13Aii—Ca08—O14Bix 67.9 (3) Si03—O10—Na02viii 93.96 (19)O13Bii—Ca08—Ca06ii 45.16 (11) Si03—O10—Na03 79.86 (12)supporting informationsup-19publCIFO13Bviii—Ca08—Ca06ii 134.84 (11) Si03—O10—Ca06 170.9 (2)O13Bii—Ca08—Ca06viii 134.84 (11) Si03—O10—Na06 164.2 (3)O13Bviii—Ca08—Ca06viii 45.16 (11) Si03—O10—Ca07i 82.71 (13)O13Bviii—Ca08—O02xiv 86.87 (17) Si03—O10—Na07i 86.7 (4)O13Bii—Ca08—O02xiv 93.13 (17) Si03—O10—Ca9Axii 94.37 (16)O13Bii—Ca08—O02v 86.87 (17) Si03—O10—Ca9Bxii 104.1 (3)O13Bviii—Ca08—O02v 93.13 (17) Ca02—O11—Ca10 73.7 (3)O13Bviii—Ca08—O05xi 78.17 (18) Ca02—O11—Ca10iv 89.6 (3)O13Bviii—Ca08—O05 101.83 (18) Ca02—O11—Na10 90.0 (2)O13Bii—Ca08—O05 78.17 (18) Na02—O11—Ca02 2.9 (3)O13Bii—Ca08—O05xi 101.83 (18) Na02—O11—Ca07i 116.60 (19)O13Bviii—Ca08—O13Aii 159.80 (15) Na02—O11—Na07i 124.8 (5)O13Bii—Ca08—O13Aviii 159.80 (15) Na02—O11—Ca10iv 86.7 (2)O13Bviii—Ca08—O13Aviii 20.20 (15) Na02—O11—Ca10 76.2 (2)O13Bii—Ca08—O13Aii 20.20 (15) Na02—O11—Na10 87.2 (2)O13Bii—Ca08—O13Bviii 180.00 (18) Ca07i—O11—Ca02 116.82 (17)O13Bii—Ca08—O14Bix 88.0 (3) Ca07i—O11—Na07i 8.3 (5)O13Bviii—Ca08—O14Bvii 88.0 (3) Ca07i—O11—Ca10iv 79.34 (16)O13Bii—Ca08—O14Bvii 92.0 (3) Ca07i—O11—Ca10 75.45 (19)O13Bviii—Ca08—O14Bix 92.0 (3) Ca07i—O11—Na10 79.73 (15)O14Bix—Ca08—Ca06viii 94.36 (16) Na07i—O11—Ca02 124.9 (5)O14Bix—Ca08—Ca06ii 85.64 (15) Na07i—O11—Ca10iv 81.8 (6)O14Bvii—Ca08—Ca06ii 94.36 (15) Na07i—O11—Ca10 77.9 (6)O14Bvii—Ca08—Ca06viii 85.64 (15) Na07i—O11—Na10 82.1 (6)O14Bvii—Ca08—O14Bix 180.0 (2) Ca10—O11—Ca10iv 138.63 (10)Ca9B—Ca9A—Ca10xii 112.4 (4) Na10—O11—Ca10iv 0.8 (3)Ca9B—Ca9A—Ca10 131.5 (4) Na10—O11—Ca10 139.4 (3)Ca9B—Ca9A—Si02i 70.0 (4) Si03—O11—Ca02 124.4 (2)Ca9B—Ca9A—Si03xii 147.8 (5) Si03—O11—Na02 125.7 (2)Ca9B—Ca9A—O01 53.9 (4) Si03—O11—Ca07i 114.81 (17)Ca9B—Ca9A—O04 94.7 (4) Si03—O11—Na07i 106.7 (5)Ca9B—Ca9A—O08 108.5 (4) Si03—O11—Ca10 101.2 (2)Ca9B—Ca9A—O08xii 179.3 (4) Si03—O11—Ca10iv 119.1 (2)Ca9B—Ca9A—O09 71.6 (5) Si03—O11—Na10 118.3 (2)Ca9B—Ca9A—O10xii 117.0 (5) Ca02—O12—Na02 4.2 (3)Ca9B—Ca9A—O12 37.7 (4) Ca07—O12—Ca02 130.3 (2)Ca10—Ca9A—Ca10xii 102.7 (2) Ca07—O12—Na02 126.29 (18)Ca10—Ca9A—Si02i 75.35 (13) Ca07—O12—Na07 6.8 (4)Si02i—Ca9A—Ca10xii 177.6 (2) Na07—O12—Ca02 136.8 (5)Si03xii—Ca9A—Ca10xii 67.17 (11) Na07—O12—Na02 132.8 (5)Si03xii—Ca9A—Ca10 76.37 (15) Ca9A—O12—Ca02 88.3 (2)Si03xii—Ca9A—Si02i 110.75 (8) Ca9A—O12—Na02 89.7 (2)O01—Ca9A—Ca10xii 151.28 (17) Ca9A—O12—Ca07 90.39 (10)O01—Ca9A—Ca10 104.18 (13) Ca9A—O12—Na07 92.3 (5)O01—Ca9A—Si02i 30.08 (5) Ca9B—O12—Ca02 93.9 (3)O01—Ca9A—Si03xii 109.90 (7) Ca9B—O12—Na02 95.8 (3)O04—Ca9A—Ca10 45.85 (14) Ca9B—O12—Ca07 92.56 (17)O04—Ca9A—Ca10xii 148.5 (2) Ca9B—O12—Na07 93.4 (5)O04—Ca9A—Si02i 29.50 (6) Ca9B—O12—Ca9A 9.4 (3)O04—Ca9A—Si03xii 98.37 (15) Si04—O12—Ca02 96.8 (2)O04—Ca9A—O01 58.89 (8) Si04—O12—Na02 97.0 (2)O04—Ca9A—O08xii 85.61 (15) Si04—O12—Ca07 102.9 (2)supporting informationsup-20publCIFO04—Ca9A—O09 166.3 (2) Si04—O12—Na07 98.9 (5)O08—Ca9A—Ca10xii 47.19 (13) Si04—O12—Ca9A 157.1 (2)O08xii—Ca9A—Ca10xii 67.10 (15) Si04—O12—Ca9B 148.2 (4)O08xii—Ca9A—Ca10 48.46 (15) Ca06—O13A—Ca07i 99.92 (19)O08—Ca9A—Ca10 72.48 (16) Na06—O13A—Ca06 6.6 (2)O08xii—Ca9A—Si02i 110.46 (12) Na06—O13A—Ca07i 103.6 (3)O08—Ca9A—Si02i 132.68 (8) Na06—O13A—Na07i 99.0 (6)O08—Ca9A—Si03xii 94.30 (15) Na06—O13A—Ca08i 86.2 (3)O08xii—Ca9A—Si03xii 32.65 (7) Na07i—O13A—Ca06 95.3 (6)O08—Ca9A—O01 154.30 (14) Na07i—O13A—Ca07i 4.6 (6)O08xii—Ca9A—O01 126.77 (12) Na07i—O13A—Ca08i 119.2 (6)O08—Ca9A—O04 110.35 (13) Ca08i—O13A—Ca06 83.16 (16)O08—Ca9A—O08xii 70.80 (15) Ca08i—O13A—Ca07i 119.3 (3)O08—Ca9A—O09 76.24 (10) Si01—O13A—Ca06 124.0 (4)O08—Ca9A—O10xii 126.1 (2) Si01—O13A—Na06 117.6 (4)O08—Ca9A—O12 77.40 (11) Si01—O13A—Ca07i 99.7 (3)O09—Ca9A—Ca10 145.92 (18) Si01—O13A—Na07i 102.4 (6)O09—Ca9A—Ca10xii 44.27 (14) Si01—O13A—Ca08i 128.5 (3)O09—Ca9A—Si02i 137.89 (19) O13B—O13A—Ca06 69.9 (5)O09—Ca9A—Si03xii 93.01 (11) O13B—O13A—Na06 64.7 (5)O09—Ca9A—O01 109.88 (17) O13B—O13A—Ca07i 160.6 (6)O09—Ca9A—O08xii 108.10 (14) O13B—O13A—Na07i 157.6 (8)O10xii—Ca9A—Ca10 95.93 (18) O13B—O13A—Ca08i 76.8 (5)O10xii—Ca9A—Ca10xii 88.01 (14) O13B—O13A—Si01 74.6 (5)O10xii—Ca9A—Si02i 90.70 (9) Ca06—O13B—Na04xvi 80.3 (2)O10xii—Ca9A—Si03xii 33.13 (8) Ca06—O13B—Ca08i 87.46 (15)O10xii—Ca9A—O01 79.38 (9) Na06—O13B—Na04xvi 75.9 (4)O10xii—Ca9A—O04 93.72 (13) Na06—O13B—Ca06 6.1 (3)O10xii—Ca9A—O08xii 63.60 (13) Na06—O13B—Ca08i 92.5 (3)O10xii—Ca9A—O09 91.60 (12) Ca08i—O13B—Na04xvi 100.5 (3)O12—Ca9A—Ca10 102.15 (13) Si01—O13B—Na04xvi 108.4 (4)O12—Ca9A—Ca10xii 105.44 (13) Si01—O13B—Ca06 134.0 (3)O12—Ca9A—Si02i 76.54 (12) Si01—O13B—Na06 131.0 (4)O12—Ca9A—Si03xii 171.57 (13) Si01—O13B—Ca08i 131.9 (3)O12—Ca9A—O01 78.53 (15) O13A—O13B—Na04xvi 169.4 (6)O12—Ca9A—O04 86.07 (13) O13A—O13B—Ca06 89.9 (5)O12—Ca9A—O08xii 141.78 (14) O13A—O13B—Na06 94.0 (6)O12—Ca9A—O09 83.65 (17) O13A—O13B—Ca08i 83.0 (5)O12—Ca9A—O10xii 154.3 (2) O13A—O13B—Si01 75.6 (5)Ca9A—Ca9B—Ca06xii 94.9 (6) Na03—O14A—Na06 76.9 (5)Ca9A—Ca9B—Si01viii 122.3 (6) Na04xvi—O14A—Na03 124.7 (8)Ca9A—Ca9B—Si02i 100.7 (4) Na04xvi—O14A—Na06 63.5 (6)Ca9A—Ca9B—O01 116.5 (5) Si01—O14A—Na03 100.9 (4)Ca9A—Ca9B—O02 128.5 (6) Si01—O14A—Na04xvi 113.8 (7)Ca9A—Ca9B—O04 73.3 (4) Si01—O14A—Na06 87.9 (8)Ca9A—Ca9B—O08 60.0 (5) Si01—O14A—Si04vii 137.1 (14)Ca9A—Ca9B—O08xii 0.6 (4) Si04vii—O14A—Na03 94.4 (4)Ca9A—Ca9B—O09 96.2 (7) Si04vii—O14A—Na04xvi 88.3 (3)Ca9A—Ca9B—O10xii 52.8 (6) Si04vii—O14A—Na06 134.8 (7)Ca9A—Ca9B—O12 132.9 (5) O14B—O14A—Na03 87.7 (8)Si01viii—Ca9B—Ca06xii 73.22 (13) O14B—O14A—Na04xvi 138.4 (11)Si02i—Ca9B—Ca06xii 71.50 (9) O14B—O14A—Na06 157.9 (9)supporting informationsup-21publCIFSi02i—Ca9B—Si01viii 125.7 (4) O14B—O14A—Si01 79.5 (8)Si02i—Ca9B—O08xii 101.1 (3) O14B—O14A—Si04vii 61.2 (11)O01—Ca9B—Ca06xii 46.38 (8) Na03—O14B—Ca08xvi 176.6 (4)O01—Ca9B—Si01viii 95.5 (4) Ca07vii—O14B—Na03 84.6 (2)O01—Ca9B—Si02i 31.60 (7) Ca07vii—O14B—Ca08xvi 98.8 (3)O01—Ca9B—O02 65.8 (3) Na07vii—O14B—Na03 91.1 (5)O01—Ca9B—O08xii 117.0 (4) Na07vii—O14B—Ca07vii 7.4 (4)O01—Ca9B—O10xii 79.76 (13) Na07vii—O14B—Ca08xvi 92.4 (5)O02—Ca9B—Ca06xii 46.93 (9) Si01—O14B—Na03 96.3 (2)O02—Ca9B—Si01viii 30.64 (10) Si01—O14B—Ca07vii 99.1 (4)O02—Ca9B—Si02i 97.2 (3) Si01—O14B—Na07vii 94.8 (6)O02—Ca9B—O08xii 128.8 (3) Si01—O14B—Ca08xvi 83.59 (17)O04—Ca9B—Ca06xii 89.96 (11) Si04vii—O14B—Na03 96.9 (2)O04—Ca9B—Si01viii 157.2 (4) Si04vii—O14B—Ca07vii 99.5 (4)O04—Ca9B—Si02i 31.83 (8) Si04vii—O14B—Na07vii 102.3 (7)O04—Ca9B—O01 61.75 (10) Si04vii—O14B—Ca08xvi 82.12 (18)O04—Ca9B—O02 127.2 (3) Si04vii—O14B—Si01 158.0 (6)O04—Ca9B—O08xii 73.6 (4) O14A—O14B—Na03 74.9 (8)O04—Ca9B—O10xii 85.1 (3) O14A—O14B—Ca07vii 157.0 (9)O08xii—Ca9B—Ca06xii 95.4 (3) O14A—O14B—Na07vii 160.2 (10)O08—Ca9B—Ca06xii 147.5 (5) O14A—O14B—Ca08xvi 101.9 (9)O08—Ca9B—Si01viii 101.76 (10) O14A—O14B—Si01 73.4 (6)O08xii—Ca9B—Si01viii 122.2 (3) O14A—O14B—Si04vii 93.3 (9)Ca01—Si04—O05—Na04xi −77.96 (8) Ca9Aviii—Si02—O03—Na02viii 33.78 (18)Ca01—Si04—O05—Ca05 90.01 (14) Ca9Aviii—Si02—O03—Na04xvi −170.47 (11)Ca01—Si04—O05—Ca06ii −59.4 (3) Ca9Aviii—Si02—O03—Ca06 107.3 (3)Ca01—Si04—O05—Na06ii −64.8 (4) Ca9Aviii—Si02—O03—Na06 114.0 (4)Ca01—Si04—O05—Ca08 −165.92 (15) Ca9Aviii—Si02—O07—Ca01xvii 89.52 (15)Ca01—Si04—O12—Ca02 49.0 (2) Ca9Aviii—Si02—O07—Ca02vii −10.3 (2)Ca01—Si04—O12—Na02 53.24 (19) Ca9Aviii—Si02—O07—Na02vii −13.9 (2)Ca01—Si04—O12—Ca07 −176.96 (6) Ca9Aviii—Si02—O07—Na04xvi 172.59 (10)Ca01—Si04—O12—Na07 −171.4 (4) Ca9Aviii—Si02—O07—Si04vii −124.2 (5)Ca01—Si04—O12—Ca9A −52.9 (6) Ca9Axii—Si03—O06—Ca02viii 17.8 (2)Ca01—Si04—O12—Ca9B −59.8 (5) Ca9Axii—Si03—O06—Na03 93.79 (17)Ca02viii—Si02—O03—Ca01viii −103.0 (2) Ca9Axii—Si03—O06—Na03vii −169.89 (12)Ca02vii—Si02—O03—Ca01viii 166.4 (3) Ca9Axii—Si03—O06—Ca07 −72.22 (19)Ca02vii—Si02—O03—Ca02viii −90.6 (5) Ca9Axii—Si03—O06—Na07 −71.7 (5)Ca02vii—Si02—O03—Na02viii −90.6 (4) Ca9Axii—Si03—O06—Ca10viii 13.2 (5)Ca02viii—Si02—O03—Na02viii −0.1 (2) Ca9Axii—Si03—O06—Na10vii 28.6 (5)Ca02vii—Si02—O03—Na04xvi 65.1 (4) Ca9Axii—Si03—O08—Ca07 151.55 (11)Ca02viii—Si02—O03—Na04xvi 155.70 (17) Ca9Axii—Si03—O08—Na07 151.0 (5)Ca02vii—Si02—O03—Ca06 −17.1 (6) Ca9Axii—Si03—O08—Ca9A −114.4 (2)Ca02viii—Si02—O03—Ca06 73.4 (3) Ca9Axii—Si03—O08—Ca9B −128.5 (4)Ca02vii—Si02—O03—Na06 −10.4 (7) Ca9Axii—Si03—O08—Ca9Bxii −0.09 (7)Ca02viii—Si02—O03—Na06 80.1 (4) Ca9Axii—Si03—O08—Ca10xii 68.2 (3)Ca02vii—Si02—O07—Ca01xvii 99.8 (2) Ca9Axii—Si03—O08—Na10viii 77.7 (2)Ca02viii—Si02—O07—Ca01xvii −171.2 (2) Ca9Axii—Si03—O10—Ca02viii −97.3 (2)Ca02viii—Si02—O07—Ca02vii 89.0 (4) Ca9Axii—Si03—O10—Na02viii −94.0 (2)Ca02vii—Si02—O07—Na02vii −3.6 (3) Ca9Axii—Si03—O10—Na03 −176.57 (15)Ca02viii—Si02—O07—Na02vii 85.3 (2) Ca9Axii—Si03—O10—Na06 162.0 (12)Ca02viii—Si02—O07—Na04xvi −88.1 (3) Ca9Axii—Si03—O10—Ca07i 93.73 (11)supporting informationsup-22publCIFCa02vii—Si02—O07—Na04xvi −177.1 (2) Ca9Axii—Si03—O10—Na07i 94.5 (5)Ca02viii—Si02—O07—Si04vii −24.9 (7) Ca9Axii—Si03—O10—Ca9Bxii 3.03 (8)Ca02vii—Si02—O07—Si04vii −113.9 (6) Ca9Axii—Si03—O11—Ca02 106.1 (3)Ca02viii—Si03—O06—Na03vii 172.3 (2) Ca9Axii—Si03—O11—Na02 109.2 (3)Ca02viii—Si03—O06—Na03 76.03 (17) Ca9Axii—Si03—O11—Ca07i −50.8 (2)Ca02viii—Si03—O06—Ca07 −89.99 (18) Ca9Axii—Si03—O11—Na07i −52.3 (6)Ca02viii—Si03—O06—Na07 −89.4 (5) Ca9Axii—Si03—O11—Ca10iv −142.1 (2)Ca02viii—Si03—O06—Ca10viii −4.6 (4) Ca9Axii—Si03—O11—Ca10 28.2 (2)Ca02viii—Si03—O06—Na10vii 10.9 (4) Ca9Axii—Si03—O11—Na10 −142.25 (19)Ca02viii—Si03—O08—Ca07 78.78 (15) Ca9Bi—Si01—O13A—Ca06 −151.8 (4)Ca02viii—Si03—O08—Na07 78.3 (5) Ca9Bi—Si01—O13A—Na06 −153.9 (5)Ca02viii—Si03—O08—Ca9Axii −72.77 (15) Ca9Bi—Si01—O13A—Ca07i −42.8 (3)Ca02viii—Si03—O08—Ca9A 172.8 (3) Ca9Bi—Si01—O13A—Na07i −46.7 (6)Ca02viii—Si03—O08—Ca9B 158.8 (4) Ca9Bi—Si01—O13A—Ca08i 97.6 (5)Ca02viii—Si03—O08—Ca9Bxii −72.86 (15) Ca9Bi—Si01—O13A—O13B 156.2 (5)Ca02viii—Si03—O08—Ca10xii −4.6 (3) Ca9Bi—Si01—O13B—Na04xvi 161.1 (2)Ca02viii—Si03—O08—Na10viii 4.9 (3) Ca9Bi—Si01—O13B—Ca06 −104.6 (6)Ca02viii—Si03—O10—Na02viii 3.3 (3) Ca9Bi—Si01—O13B—Na06 −111.8 (6)Ca02viii—Si03—O10—Na03 −79.3 (2) Ca9Bi—Si01—O13B—Ca08i 37.2 (8)Ca02viii—Si03—O10—Na06 −100.6 (11) Ca9Bi—Si01—O13B—O13A −29.2 (6)Ca02viii—Si03—O10—Ca07i −169.0 (2) Ca9Bi—Si01—O14A—Na03 53.7 (19)Ca02viii—Si03—O10—Na07i −168.2 (5) Ca9Bi—Si01—O14A—Na04xvi −170.4 (6)Ca02viii—Si03—O10—Ca9Axii 97.3 (2) Ca9Bi—Si01—O14A—Na06 129.9 (13)Ca02viii—Si03—O10—Ca9Bxii 100.3 (3) Ca9Bi—Si01—O14A—Si04vii −55.1 (13)Ca02viii—Si03—O11—Ca02 −170.5 (2) Ca9Bi—Si01—O14A—O14B −31.8 (19)Ca02viii—Si03—O11—Na02 −167.4 (6) Ca9Bi—Si01—O14B—Na03 91.6 (4)Ca02viii—Si03—O11—Ca07i 32.6 (7) Ca9Bi—Si01—O14B—Ca07vii 6.1 (3)Ca02viii—Si03—O11—Na07i 31.1 (9) Ca9Bi—Si01—O14B—Na07vii 0.0 (5)Ca02viii—Si03—O11—Ca10 111.7 (5) Ca9Bi—Si01—O14B—Ca08xvi −91.8 (2)Ca02viii—Si03—O11—Ca10iv −58.7 (6) Ca9Bi—Si01—O14B—Si04vii −141.5 (14)Ca02viii—Si03—O11—Na10 −58.8 (6) Ca9Bi—Si01—O14B—O14A 163.7 (8)Ca02—Si04—O05—Ca01 −36.6 (2) Ca9Bviii—Si02—O03—Ca01viii −60.5 (3)Ca02—Si04—O05—Na04xi −114.52 (19) Ca9Bviii—Si02—O03—Ca02viii 42.6 (3)Ca02—Si04—O05—Ca05 53.4 (2) Ca9Bviii—Si02—O03—Na02viii 42.5 (3)Ca02—Si04—O05—Ca06ii −96.0 (4) Ca9Bviii—Si02—O03—Na04xvi −161.7 (3)Ca02—Si04—O05—Na06ii −101.4 (5) Ca9Bviii—Si02—O03—Ca06 116.0 (3)Ca02—Si04—O05—Ca08 157.51 (17) Ca9Bviii—Si02—O03—Na06 122.7 (5)Ca02—Si04—O12—Na02 4.2 (3) Ca9Bviii—Si02—O07—Ca01xvii 80.8 (3)Ca02—Si04—O12—Ca07 134.0 (3) Ca9Bviii—Si02—O07—Ca02vii −19.0 (4)Ca02—Si04—O12—Na07 139.6 (5) Ca9Bviii—Si02—O07—Na02vii −22.7 (4)Ca02—Si04—O12—Ca9A −101.9 (6) Ca9Bviii—Si02—O07—Na04xvi 163.9 (3)Ca02—Si04—O12—Ca9B −108.9 (5) Ca9Bviii—Si02—O07—Si04vii −132.9 (5)Na02vii—Si02—O03—Ca01viii 173.8 (3) Ca10—Ca9A—Ca9B—Ca06xii 119.1 (4)Na02viii—Si02—O03—Ca01viii −103.0 (2) Ca10xii—Ca9A—Ca9B—Ca06xii −107.8 (2)Na02vii—Si02—O03—Ca02viii −83.2 (3) Ca10—Ca9A—Ca9B—Si01viii −167.65 (17)Na02viii—Si02—O03—Ca02viii 0.1 (2) Ca10xii—Ca9A—Ca9B—Si01viii −34.6 (5)Na02vii—Si02—O03—Na02viii −83.2 (4) Ca10xii—Ca9A—Ca9B—Si02i −179.86 (13)Na02vii—Si02—O03—Na04xvi 72.5 (3) Ca10—Ca9A—Ca9B—Si02i 47.1 (5)Na02viii—Si02—O03—Na04xvi 155.76 (16) Ca10—Ca9A—Ca9B—O01 76.1 (5)Na02viii—Si02—O03—Ca06 73.5 (3) Ca10xii—Ca9A—Ca9B—O01 −150.83 (19)Na02vii—Si02—O03—Ca06 −9.7 (5) Ca10xii—Ca9A—Ca9B—O02 −71.7 (5)Na02vii—Si02—O03—Na06 −3.0 (6) Ca10—Ca9A—Ca9B—O02 155.3 (2)supporting informationsup-23publCIFNa02viii—Si02—O03—Na06 80.2 (4) Ca10xii—Ca9A—Ca9B—O04 163.7 (3)Na02vii—Si02—O07—Ca01xvii 103.45 (17) Ca10—Ca9A—Ca9B—O04 30.6 (3)Na02viii—Si02—O07—Ca01xvii −172.56 (19) Ca10xii—Ca9A—Ca9B—O08 50.43 (19)Na02viii—Si02—O07—Ca02vii 87.6 (2) Ca10—Ca9A—Ca9B—O08xii −85 (42)Na02vii—Si02—O07—Ca02vii 3.6 (3) Ca10—Ca9A—Ca9B—O08 −82.6 (4)Na02viii—Si02—O07—Na02vii 84.0 (3) Ca10xii—Ca9A—Ca9B—O08xii 48 (42)Na02viii—Si02—O07—Na04xvi −89.5 (2) Ca10xii—Ca9A—Ca9B—O09 −17.5 (3)Na02vii—Si02—O07—Na04xvi −173.47 (18) Ca10—Ca9A—Ca9B—O09 −150.6 (3)Na02vii—Si02—O07—Si04vii −110.2 (6) Ca10xii—Ca9A—Ca9B—O10xii −99.7 (4)Na02viii—Si02—O07—Si04vii −26.3 (6) Ca10—Ca9A—Ca9B—O10xii 127.2 (5)Na02viii—Si03—O06—Ca02viii 3.6 (3) Ca10xii—Ca9A—Ca9B—O12 86.4 (6)Na02viii—Si03—O06—Na03 79.60 (14) Ca10—Ca9A—Ca9B—O12 −46.7 (8)Na02viii—Si03—O06—Na03vii 175.91 (18) Si01—O13A—O13B—Na04xvi 113 (3)Na02viii—Si03—O06—Ca07 −86.42 (14) Si01—O13A—O13B—Ca06 135.9 (2)Na02viii—Si03—O06—Na07 −85.9 (5) Si01—O13A—O13B—Na06 131.4 (3)Na02viii—Si03—O06—Ca10viii −1.0 (4) Si01—O13A—O13B—Ca08i −136.65 (17)Na02viii—Si03—O06—Na10vii 14.4 (4) Si01—O14A—O14B—Na03 101.5 (3)Na02viii—Si03—O08—Ca07 77.99 (13) Si01—O14A—O14B—Ca07vii 73.9 (18)Na02viii—Si03—O08—Na07 77.5 (5) Si01—O14A—O14B—Na07vii 55 (3)Na02viii—Si03—O08—Ca9A 172.0 (3) Si01—O14A—O14B—Ca08xvi −79.5 (3)Na02viii—Si03—O08—Ca9Axii −73.57 (13) Si01—O14A—O14B—Si04vii −162.2 (3)Na02viii—Si03—O08—Ca9B 158.0 (4) Si02i—Ca9A—Ca9B—Ca06xii 72.06 (13)Na02viii—Si03—O08—Ca9Bxii −73.66 (13) Si02i—Ca9A—Ca9B—Si01viii 145.3 (4)Na02viii—Si03—O08—Ca10xii −5.4 (3) Si02i—Ca9A—Ca9B—O01 29.03 (18)Na02viii—Si03—O08—Na10viii 4.1 (2) Si02i—Ca9A—Ca9B—O02 108.2 (4)Na02viii—Si03—O10—Ca02viii −3.3 (3) Si02i—Ca9A—Ca9B—O04 −16.4 (2)Na02viii—Si03—O10—Na03 −82.57 (17) Si02i—Ca9A—Ca9B—O08 −129.72 (14)Na02viii—Si03—O10—Na06 −103.9 (11) Si02i—Ca9A—Ca9B—O08xii −133 (100)Na02viii—Si03—O10—Ca07i −172.27 (19) Si02i—Ca9A—Ca9B—O09 162.3 (3)Na02viii—Si03—O10—Na07i −171.5 (5) Si02i—Ca9A—Ca9B—O10xii 80.2 (3)Na02viii—Si03—O10—Ca9Axii 94.0 (2) Si02i—Ca9A—Ca9B—O12 −93.8 (5)Na02viii—Si03—O10—Ca9Bxii 97.0 (2) Si03xii—Ca9A—Ca9B—Ca06xii −25.4 (7)Na02viii—Si03—O11—Ca02 −173.6 (6) Si03xii—Ca9A—Ca9B—Si01viii 47.8 (9)Na02viii—Si03—O11—Na02 −170.4 (3) Si03xii—Ca9A—Ca9B—Si02i −97.5 (7)Na02viii—Si03—O11—Ca07i 29.6 (7) Si03xii—Ca9A—Ca9B—O01 −68.4 (8)Na02viii—Si03—O11—Na07i 28.0 (9) Si03xii—Ca9A—Ca9B—O02 10.7 (10)Na02viii—Si03—O11—Ca10iv −61.8 (7) Si03xii—Ca9A—Ca9B—O04 −113.9 (7)Na02viii—Si03—O11—Ca10 108.6 (6) Si03xii—Ca9A—Ca9B—O08 132.8 (8)Na02viii—Si03—O11—Na10 −61.9 (7) Si03xii—Ca9A—Ca9B—O08xii 130 (43)Na02—Si04—O05—Ca01 −35.6 (2) Si03xii—Ca9A—Ca9B—O09 64.9 (7)Na02—Si04—O05—Na04xi −113.60 (18) Si03xii—Ca9A—Ca9B—O10xii −17.3 (4)Na02—Si04—O05—Ca05 54.4 (2) Si03xii—Ca9A—Ca9B—O12 168.8 (3)Na02—Si04—O05—Ca06ii −95.0 (4) Si04vii—O14A—O14B—Na03 −96.3 (3)Na02—Si04—O05—Na06ii −100.5 (5) Si04vii—O14A—O14B—Ca07vii −123.9 (18)Na02—Si04—O05—Ca08 158.44 (16) Si04vii—O14A—O14B—Na07vii −142 (3)Na02—Si04—O12—Ca02 −4.2 (3) Si04vii—O14A—O14B—Ca08xvi 82.6 (3)Na02—Si04—O12—Ca07 129.8 (2) Si04vii—O14A—O14B—Si01 162.2 (3)Na02—Si04—O12—Na07 135.4 (5) O01—Ca9A—Ca9B—Ca06xii 43.0 (2)Na02—Si04—O12—Ca9A −106.2 (6) O01—Ca9A—Ca9B—Si01viii 116.3 (5)Na02—Si04—O12—Ca9B −113.1 (5) O01—Ca9A—Ca9B—Si02i −29.03 (18)Na03—Si01—O13A—Ca06 −36.7 (4) O01—Ca9A—Ca9B—O02 79.2 (4)Na03—Si01—O13A—Na06 −38.7 (4) O01—Ca9A—Ca9B—O04 −45.4 (3)supporting informationsup-24publCIFNa03—Si01—O13A—Ca07i 72.37 (16) O01—Ca9A—Ca9B—O08 −158.74 (17)Na03—Si01—O13A—Na07i 68.5 (6) O01—Ca9A—Ca9B—O08xii −162 (100)Na03—Si01—O13A—Ca08i −147.2 (5) O01—Ca9A—Ca9B—O09 133.3 (4)Na03—Si01—O13A—O13B −88.6 (5) O01—Ca9A—Ca9B—O10xii 51.2 (5)Na03—Si01—O13B—Na04xvi −78.14 (19) O01—Ca9A—Ca9B—O12 −122.8 (7)Na03—Si01—O13B—Ca06 16.1 (6) O01viii—Si02—O03—Ca01viii 4.6 (3)Na03—Si01—O13B—Na06 9.0 (7) O01viii—Si02—O03—Ca02viii 107.61 (17)Na03—Si01—O13B—Ca08i 158.0 (6) O01viii—Si02—O03—Na02viii 107.55 (17)Na03—Si01—O13B—O13A 91.6 (5) O01viii—Si02—O03—Na04xvi −96.69 (14)Na03—Si01—O14A—Na04xvi 135.9 (14) O01viii—Si02—O03—Ca06 −179.0 (2)Na03—Si01—O14A—Na06 76.2 (7) O01viii—Si02—O03—Na06 −172.3 (4)Na03—Si01—O14A—Si04vii −108.8 (14) O01viii—Si02—O07—Ca01xvii 25.39 (14)Na03—Si01—O14A—O14B −85.5 (8) O01viii—Si02—O07—Ca02vii −74.4 (2)Na03—Si01—O14B—Ca07vii −85.5 (3) O01viii—Si02—O07—Na02vii −78.07 (18)Na03—Si01—O14B—Na07vii −91.6 (5) O01viii—Si02—O07—Na04xvi 108.46 (11)Na03—Si01—O14B—Ca08xvi 176.6 (4) O01viii—Si02—O07—Si04vii 171.7 (5)Na03—Si01—O14B—Si04vii 126.9 (18) O02i—Si01—O13A—Ca06 138.8 (3)Na03—Si01—O14B—O14A 72.1 (8) O02i—Si01—O13A—Na06 136.8 (4)Na03—Si02—O03—Ca01viii −171.20 (19) O02i—Si01—O13A—Ca07i −112.17 (17)Na03—Si02—O03—Ca02viii −68.19 (13) O02i—Si01—O13A—Na07i −116.1 (6)Na03—Si02—O03—Na02viii −68.25 (13) O02i—Si01—O13A—Ca08i 28.2 (6)Na03—Si02—O03—Na04xvi 87.51 (9) O02i—Si01—O13A—O13B 86.8 (5)Na03—Si02—O03—Ca06 5.2 (2) O02i—Si01—O13B—Na04xvi 83.7 (2)Na03—Si02—O03—Na06 11.9 (4) O02i—Si01—O13B—Ca06 178.0 (5)Na03—Si02—O07—Ca01xvii −179.47 (12) O02i—Si01—O13B—Na06 170.8 (6)Na03—Si02—O07—Ca02vii 80.69 (19) O02i—Si01—O13B—Ca08i −40.2 (7)Na03—Si02—O07—Na02vii 77.07 (15) O02i—Si01—O13B—O13A −106.6 (5)Na03—Si02—O07—Na04xvi −96.40 (8) O02i—Si01—O14A—Na03 150.6 (4)Na03—Si02—O07—Si04vii −33.2 (5) O02i—Si01—O14A—Na04xvi −73.5 (11)Na03—Si03—O06—Ca02viii −76.03 (17) O02i—Si01—O14A—Na06 −133.2 (4)Na03vii—Si03—O06—Ca02viii −172.3 (2) O02i—Si01—O14A—Si04vii 41.8 (12)Na03vii—Si03—O06—Na03 −96.32 (14) O02i—Si01—O14A—O14B 65.1 (8)Na03—Si03—O06—Na03vii 96.32 (14) O02i—Si01—O14B—Na03 164.1 (2)Na03—Si03—O06—Ca07 −166.02 (15) O02i—Si01—O14B—Ca07vii 78.55 (18)Na03vii—Si03—O06—Ca07 97.67 (14) O02i—Si01—O14B—Na07vii 72.5 (5)Na03—Si03—O06—Na07 −165.5 (5) O02i—Si01—O14B—Ca08xvi −19.4 (3)Na03vii—Si03—O06—Na07 98.2 (5) O02i—Si01—O14B—Si04vii −69.0 (16)Na03—Si03—O06—Ca10viii −80.6 (4) O02i—Si01—O14B—O14A −123.8 (8)Na03vii—Si03—O06—Ca10viii −176.9 (5) O03—Si02—O07—Ca01xvii −100.93 (12)Na03—Si03—O06—Na10vii −65.2 (4) O03—Si02—O07—Ca02vii 159.2 (2)Na03vii—Si03—O06—Na10vii −161.5 (5) O03—Si02—O07—Na02vii 155.61 (16)Na03vii—Si03—O08—Ca07 −30.54 (11) O03—Si02—O07—Na04xvi −17.86 (14)Na03—Si03—O08—Ca07 56.8 (2) O03—Si02—O07—Si04vii 45.4 (5)Na03vii—Si03—O08—Na07 −31.1 (5) O04—Ca9A—Ca9B—Ca06xii 88.48 (13)Na03—Si03—O08—Na07 56.3 (5) O04—Ca9A—Ca9B—Si01viii 161.7 (3)Na03—Si03—O08—Ca9Axii −94.7 (2) O04—Ca9A—Ca9B—Si02i 16.4 (2)Na03vii—Si03—O08—Ca9A 63.5 (2) O04—Ca9A—Ca9B—O01 45.4 (3)Na03vii—Si03—O08—Ca9Axii 177.91 (5) O04—Ca9A—Ca9B—O02 124.6 (3)Na03—Si03—O08—Ca9A 150.8 (2) O04—Ca9A—Ca9B—O08 −113.3 (2)Na03—Si03—O08—Ca9B 136.8 (4) O04—Ca9A—Ca9B—O08xii −116 (100)Na03—Si03—O08—Ca9Bxii −94.8 (2) O04—Ca9A—Ca9B—O09 178.76 (13)Na03vii—Si03—O08—Ca9B 49.4 (4) O04—Ca9A—Ca9B—O10xii 96.6 (3)supporting informationsup-25publCIFNa03vii—Si03—O08—Ca9Bxii 177.82 (6) O04—Ca9A—Ca9B—O12 −77.4 (5)Na03vii—Si03—O08—Ca10xii −113.9 (3) O04viii—Si02—O03—Ca01viii −122.06 (19)Na03—Si03—O08—Ca10xii −26.5 (4) O04viii—Si02—O03—Ca02viii −19.04 (18)Na03vii—Si03—O08—Na10viii −104.4 (2) O04viii—Si02—O03—Na02viii −19.10 (18)Na03—Si03—O08—Na10viii −17.0 (4) O04viii—Si02—O03—Na04xvi 136.66 (13)Na03vii—Si03—O10—Ca02viii 81.1 (2) O04viii—Si02—O03—Ca06 54.4 (3)Na03—Si03—O10—Ca02viii 79.3 (2) O04viii—Si02—O03—Na06 61.1 (4)Na03—Si03—O10—Na02viii 82.57 (17) O04viii—Si02—O07—Ca01xvii 138.57 (12)Na03vii—Si03—O10—Na02viii 84.5 (2) O04viii—Si02—O07—Ca02vii 38.7 (2)Na03vii—Si03—O10—Na03 1.89 (18) O04viii—Si02—O07—Na02vii 35.11 (18)Na03—Si03—O10—Na06 −21.4 (11) O04viii—Si02—O07—Na04xvi −138.36 (11)Na03vii—Si03—O10—Na06 −19.5 (12) O04viii—Si02—O07—Si04vii −75.1 (5)Na03vii—Si03—O10—Ca07i −87.81 (13) O05—Si04—O12—Ca02 117.2 (2)Na03—Si03—O10—Ca07i −89.70 (8) O05—Si04—O12—Na02 121.42 (19)Na03vii—Si03—O10—Na07i −87.0 (5) O05—Si04—O12—Ca07 −108.78 (16)Na03—Si03—O10—Na07i −88.9 (5) O05—Si04—O12—Na07 −103.2 (5)Na03—Si03—O10—Ca9Axii 176.57 (15) O05—Si04—O12—Ca9A 15.3 (6)Na03vii—Si03—O10—Ca9Axii 178.46 (8) O05—Si04—O12—Ca9B 8.3 (5)Na03—Si03—O10—Ca9Bxii 179.60 (18) O06—Si03—O08—Ca07 9.77 (14)Na03vii—Si03—O10—Ca9Bxii −178.51 (10) O06—Si03—O08—Na07 9.2 (5)Na03vii—Si03—O11—Ca02 −67.5 (3) O06—Si03—O08—Ca9Axii −141.78 (11)Na03—Si03—O11—Ca02 −132.1 (3) O06—Si03—O08—Ca9A 103.8 (2)Na03—Si03—O11—Na02 −128.9 (3) O06—Si03—O08—Ca9Bxii −141.87 (12)Na03vii—Si03—O11—Na02 −64.3 (3) O06—Si03—O08—Ca9B 89.7 (4)Na03vii—Si03—O11—Ca07i 135.7 (2) O06—Si03—O08—Ca10xii −73.6 (3)Na03—Si03—O11—Ca07i 71.1 (2) O06—Si03—O08—Na10viii −64.1 (3)Na03—Si03—O11—Na07i 69.5 (6) O06—Si03—O10—Ca02viii 44.8 (2)Na03vii—Si03—O11—Na07i 134.1 (6) O06—Si03—O10—Na02viii 48.1 (2)Na03vii—Si03—O11—Ca10 −145.29 (19) O06—Si03—O10—Na03 −34.48 (14)Na03—Si03—O11—Ca10 150.10 (18) O06—Si03—O10—Na06 −55.9 (12)Na03vii—Si03—O11—Ca10iv 44.3 (2) O06—Si03—O10—Ca07i −124.18 (11)Na03—Si03—O11—Ca10iv −20.3 (2) O06—Si03—O10—Na07i −123.4 (5)Na03vii—Si03—O11—Na10 44.21 (19) O06—Si03—O10—Ca9Axii 142.09 (13)Na03—Si03—O11—Na10 −20.4 (2) O06—Si03—O10—Ca9Bxii 145.12 (15)Na03vii—Si04—O05—Ca01 99.3 (2) O06—Si03—O11—Ca02 −78.3 (4)Na03vii—Si04—O05—Na04xi 21.3 (3) O06—Si03—O11—Na02 −75.1 (4)Na03vii—Si04—O05—Ca05 −170.70 (15) O06—Si03—O11—Ca07i 124.9 (2)Na03vii—Si04—O05—Ca06ii 39.9 (5) O06—Si03—O11—Na07i 123.3 (6)Na03vii—Si04—O05—Na06ii 34.5 (6) O06—Si03—O11—Ca10iv 33.5 (3)Na03vii—Si04—O05—Ca08 −66.6 (3) O06—Si03—O11—Ca10 −156.08 (19)Na03vii—Si04—O12—Ca02 −70.9 (2) O06—Si03—O11—Na10 33.4 (2)Na03vii—Si04—O12—Na02 −66.70 (16) O07—Si02—O03—Ca01viii 121.0 (2)Na03vii—Si04—O12—Ca07 63.10 (11) O07—Si02—O03—Ca02viii −135.98 (17)Na03vii—Si04—O12—Na07 68.7 (5) O07—Si02—O03—Na02viii −136.05 (17)Na03vii—Si04—O12—Ca9A −172.9 (6) O07—Si02—O03—Na04xvi 19.71 (16)Na03vii—Si04—O12—Ca9B −179.8 (5) O07—Si02—O03—Ca06 −62.6 (3)Na03—O14A—O14B—Ca07vii −27.6 (18) O07—Si02—O03—Na06 −55.9 (4)Na03—O14A—O14B—Na07vii −46 (3) O07vii—Si04—O05—Ca01 20.61 (13)Na03—O14A—O14B—Ca08xvi 178.93 (14) O07vii—Si04—O05—Na04xi −57.35 (13)Na03—O14A—O14B—Si01 −101.5 (3) O07vii—Si04—O05—Ca05 110.62 (15)Na03—O14A—O14B—Si04vii 96.3 (3) O07vii—Si04—O05—Ca06ii −38.8 (4)Na04xvi—Si02—O03—Ca01viii 101.3 (2) O07vii—Si04—O05—Na06ii −44.2 (5)supporting informationsup-26publCIFNa04xvi—Si02—O03—Ca02viii −155.70 (17) O07vii—Si04—O05—Ca08 −145.31 (12)Na04xvi—Si02—O03—Na02viii −155.76 (16) O07vii—Si04—O12—Ca02 −4.8 (3)Na04xvi—Si02—O03—Ca06 −82.3 (2) O07vii—Si04—O12—Na02 −0.6 (2)Na04xvi—Si02—O03—Na06 −75.6 (4) O07vii—Si04—O12—Ca07 129.20 (14)Na04xvi—Si02—O07—Ca01xvii −83.08 (11) O07vii—Si04—O12—Na07 134.8 (5)Na04xvi—Si02—O07—Ca02vii 177.1 (2) O07vii—Si04—O12—Ca9A −106.8 (5)Na04xvi—Si02—O07—Na02vii 173.47 (18) O07vii—Si04—O12—Ca9B −113.7 (4)Na04xvi—Si02—O07—Si04vii 63.2 (5) O08—Ca9A—Ca9B—Ca06xii −158.22 (12)Na04xi—Si04—O05—Ca01 77.96 (8) O08—Ca9A—Ca9B—Si01viii −85.0 (4)Na04xi—Si04—O05—Ca05 167.97 (17) O08—Ca9A—Ca9B—Si02i 129.72 (14)Na04xi—Si04—O05—Ca06ii 18.6 (3) O08—Ca9A—Ca9B—O01 158.74 (17)Na04xi—Si04—O05—Na06ii 13.1 (4) O08—Ca9A—Ca9B—O02 −122.1 (3)Na04xi—Si04—O05—Ca08 −87.96 (12) O08—Ca9A—Ca9B—O04 113.3 (2)Na04xvi—O14A—O14B—Na03 −144.3 (11) O08—Ca9A—Ca9B—O08xii −3 (42)Na04xvi—O14A—O14B—Ca07vii −171.9 (8) O08—Ca9A—Ca9B—O09 −67.9 (3)Na04xvi—O14A—O14B—Na07vii 169.6 (17) O08—Ca9A—Ca9B—O10xii −150.1 (4)Na04xvi—O14A—O14B—Ca08xvi 34.7 (11) O08—Ca9A—Ca9B—O12 35.9 (6)Na04xvi—O14A—O14B—Si01 114.2 (11) O08—Si03—O06—Ca02viii 79.84 (19)Na04xvi—O14A—O14B—Si04vii −48.0 (11) O08—Si03—O06—Na03vii −107.81 (14)Ca06—O13A—O13B—Na04xvi −23 (3) O08—Si03—O06—Na03 155.87 (11)Ca06—O13A—O13B—Na06 −4.5 (3) O08—Si03—O06—Ca07 −10.15 (14)Ca06—O13A—O13B—Ca08i 87.46 (14) O08—Si03—O06—Na07 −9.6 (5)Ca06—O13A—O13B—Si01 −135.9 (2) O08—Si03—O06—Ca10viii 75.2 (4)Na06—O13A—O13B—Na04xvi −18 (3) O08—Si03—O06—Na10vii 90.7 (4)Na06—O13A—O13B—Ca06 4.5 (3) O08—Si03—O10—Ca02viii −72.5 (2)Na06—O13A—O13B—Ca08i 92.0 (3) O08—Si03—O10—Na02viii −69.21 (19)Na06—O13A—O13B—Si01 −131.4 (3) O08—Si03—O10—Na03 −151.78 (11)Na06—O14A—O14B—Na03 45 (2) O08—Si03—O10—Na06 −173.2 (11)Na06—O14A—O14B—Ca07vii 18 (4) O08—Si03—O10—Ca07i 118.52 (11)Na06—O14A—O14B—Na07vii −1 (4) O08—Si03—O10—Na07i 119.3 (5)Na06—O14A—O14B—Ca08xvi −136 (2) O08—Si03—O10—Ca9Axii 24.79 (16)Na06—O14A—O14B—Si01 −56 (2) O08—Si03—O10—Ca9Bxii 27.82 (19)Na06—O14A—O14B—Si04vii 141 (2) O08—Si03—O11—Ca02 43.8 (4)Ca07vii—Si01—O13A—Ca06 −65.9 (9) O08—Si03—O11—Na02 46.9 (4)Ca07i—Si01—O13A—Ca06 −109.0 (4) O08—Si03—O11—Ca07i −113.05 (18)Ca07i—Si01—O13A—Na06 −111.0 (4) O08—Si03—O11—Na07i −114.6 (6)Ca07vii—Si01—O13A—Na06 −67.9 (9) O08—Si03—O11—Ca10 −34.0 (2)Ca07vii—Si01—O13A—Ca07i 43.1 (7) O08—Si03—O11—Ca10iv 155.6 (2)Ca07i—Si01—O13A—Na07i −3.9 (6) O08—Si03—O11—Na10 155.47 (18)Ca07vii—Si01—O13A—Na07i 39.2 (9) O09—Ca9A—Ca9B—Ca06xii −90.28 (17)Ca07vii—Si01—O13A—Ca08i −176.52 (8) O09—Ca9A—Ca9B—Si01viii −17.1 (2)Ca07i—Si01—O13A—Ca08i 140.4 (6) O09—Ca9A—Ca9B—Si02i −162.3 (3)Ca07i—Si01—O13A—O13B −161.0 (6) O09—Ca9A—Ca9B—O01 −133.3 (4)Ca07vii—Si01—O13A—O13B −117.9 (6) O09—Ca9A—Ca9B—O02 −54.2 (3)Ca07i—Si01—O13B—Na04xvi −154.7 (2) O09—Ca9A—Ca9B—O04 −178.76 (13)Ca07vii—Si01—O13B—Na04xvi −50.3 (7) O09—Ca9A—Ca9B—O08xii 65 (42)Ca07vii—Si01—O13B—Ca06 44.0 (12) O09—Ca9A—Ca9B—O08 67.9 (3)Ca07i—Si01—O13B—Ca06 −60.4 (6) O09—Ca9A—Ca9B—O10xii −82.2 (3)Ca07i—Si01—O13B—Na06 −67.6 (7) O09—Ca9A—Ca9B—O12 103.9 (5)Ca07vii—Si01—O13B—Na06 36.8 (12) O09i—Si01—O13A—Ca06 −102.1 (4)Ca07i—Si01—O13B—Ca08i 81.4 (6) O09i—Si01—O13A—Na06 −104.1 (4)Ca07vii—Si01—O13B—Ca08i −174.19 (7) O09i—Si01—O13A—Ca07i 6.9 (2)supporting informationsup-27publCIFCa07i—Si01—O13B—O13A 15.0 (5) O09i—Si01—O13A—Na07i 3.0 (6)Ca07vii—Si01—O13B—O13A 119.4 (6) O09i—Si01—O13A—Ca08i 147.3 (5)Ca07i—Si01—O14A—Na03 −32.2 (11) O09i—Si01—O13A—O13B −154.1 (5)Ca07vii—Si01—O14A—Na03 67.9 (6) O09i—Si01—O13B—Na04xvi −137.2 (3)Ca07vii—Si01—O14A—Na04xvi −156.2 (9) O09i—Si01—O13B—Ca06 −43.0 (8)Ca07i—Si01—O14A—Na04xvi 103.7 (5) O09i—Si01—O13B—Na06 −50.1 (8)Ca07i—Si01—O14A—Na06 44.0 (6) O09i—Si01—O13B—Ca08i 98.9 (5)Ca07vii—Si01—O14A—Na06 144.1 (3) O09i—Si01—O13B—O13A 32.5 (6)Ca07i—Si01—O14A—Si04vii −141.0 (6) O09i—Si01—O14A—Na03 22.4 (10)Ca07vii—Si01—O14A—Si04vii −40.9 (9) O09i—Si01—O14A—Na04xvi 158.3 (5)Ca07i—Si01—O14A—O14B −117.7 (9) O09i—Si01—O14A—Na06 98.6 (5)Ca07vii—Si01—O14A—O14B −17.6 (7) O09i—Si01—O14A—Si04vii −86.3 (8)Ca07vii—Si01—O14B—Na03 85.5 (3) O09i—Si01—O14A—O14B −63.1 (10)Ca07i—Si01—O14B—Na03 8.2 (6) O09i—Si01—O14B—Na03 51.1 (3)Ca07i—Si01—O14B—Ca07vii −77.3 (4) O09i—Si01—O14B—Ca07vii −34.4 (2)Ca07vii—Si01—O14B—Na07vii −6.1 (5) O09i—Si01—O14B—Na07vii −40.5 (5)Ca07i—Si01—O14B—Na07vii −83.4 (6) O09i—Si01—O14B—Ca08xvi −132.36 (18)Ca07i—Si01—O14B—Ca08xvi −175.22 (14) O09i—Si01—O14B—Si04vii 178.0 (15)Ca07vii—Si01—O14B—Ca08xvi −97.9 (3) O09i—Si01—O14B—O14A 123.2 (8)Ca07i—Si01—O14B—Si04vii 135.1 (13) O10xii—Ca9A—Ca9B—Ca06xii −8.1 (3)Ca07vii—Si01—O14B—Si04vii −147.6 (16) O10xii—Ca9A—Ca9B—Si01viii 65.1 (4)Ca07i—Si01—O14B—O14A 80.3 (10) O10xii—Ca9A—Ca9B—Si02i −80.2 (3)Ca07vii—Si01—O14B—O14A 157.6 (9) O10xii—Ca9A—Ca9B—O01 −51.2 (5)Ca07i—Si03—O06—Ca02viii −114.14 (18) O10xii—Ca9A—Ca9B—O02 28.0 (6)Ca07—Si03—O06—Ca02viii 89.99 (18) O10xii—Ca9A—Ca9B—O04 −96.6 (3)Ca07—Si03—O06—Na03 166.02 (15) O10xii—Ca9A—Ca9B—O08 150.1 (4)Ca07—Si03—O06—Na03vii −97.67 (14) O10xii—Ca9A—Ca9B—O08xii 147 (42)Ca07i—Si03—O06—Na03 −38.11 (14) O10xii—Ca9A—Ca9B—O09 82.2 (3)Ca07i—Si03—O06—Na03vii 58.21 (16) O10xii—Ca9A—Ca9B—O12 −174.0 (3)Ca07i—Si03—O06—Ca07 155.87 (5) O10—Si03—O06—Ca02viii −36.6 (2)Ca07—Si03—O06—Na07 0.6 (5) O10—Si03—O06—Na03 39.46 (17)Ca07i—Si03—O06—Na07 156.4 (5) O10—Si03—O06—Na03vii 135.78 (16)Ca07i—Si03—O06—Ca10viii −118.7 (4) O10—Si03—O06—Ca07 −126.55 (15)Ca07—Si03—O06—Ca10viii 85.4 (4) O10—Si03—O06—Na07 −126.0 (5)Ca07—Si03—O06—Na10vii 100.9 (4) O10—Si03—O06—Ca10viii −41.2 (4)Ca07i—Si03—O06—Na10vii −103.3 (4) O10—Si03—O06—Na10vii −25.7 (5)Ca07i—Si03—O08—Ca07 −157.29 (4) O10—Si03—O08—Ca07 128.71 (13)Ca07i—Si03—O08—Na07 −157.8 (5) O10—Si03—O08—Na07 128.2 (5)Ca07—Si03—O08—Na07 −0.5 (5) O10—Si03—O08—Ca9A −137.3 (2)Ca07i—Si03—O08—Ca9Axii 51.16 (11) O10—Si03—O08—Ca9Axii −22.85 (15)Ca07—Si03—O08—Ca9A 94.0 (2) O10—Si03—O08—Ca9B −151.3 (4)Ca07—Si03—O08—Ca9Axii −151.55 (11) O10—Si03—O08—Ca9Bxii −22.94 (15)Ca07i—Si03—O08—Ca9A −63.3 (2) O10—Si03—O08—Ca10xii 45.4 (3)Ca07—Si03—O08—Ca9Bxii −151.64 (11) O10—Si03—O08—Na10viii 54.9 (3)Ca07—Si03—O08—Ca9B 80.0 (4) O10—Si03—O11—Ca02 160.8 (3)Ca07i—Si03—O08—Ca9Bxii 51.07 (11) O10—Si03—O11—Na02 164.0 (3)Ca07i—Si03—O08—Ca9B −77.3 (4) O10—Si03—O11—Ca07i 4.0 (3)Ca07i—Si03—O08—Ca10xii 119.4 (3) O10—Si03—O11—Na07i 2.4 (6)Ca07—Si03—O08—Ca10xii −83.4 (3) O10—Si03—O11—Ca10iv −87.4 (3)Ca07i—Si03—O08—Na10viii 128.9 (2) O10—Si03—O11—Ca10 83.0 (2)Ca07—Si03—O08—Na10viii −73.8 (2) O10—Si03—O11—Na10 −87.5 (2)Ca07—Si03—O10—Ca02viii −13.5 (3) O11—Si03—O06—Ca02viii −155.3 (2)supporting informationsup-28publCIFCa07i—Si03—O10—Ca02viii 169.0 (2) O11—Si03—O06—Na03 −79.23 (15)Ca07—Si03—O10—Na02viii −10.2 (2) O11—Si03—O06—Na03vii 17.09 (19)Ca07i—Si03—O10—Na02viii 172.27 (19) O11—Si03—O06—Ca07 114.76 (14)Ca07—Si03—O10—Na03 −92.73 (13) O11—Si03—O06—Na07 115.3 (5)Ca07i—Si03—O10—Na03 89.70 (8) O11—Si03—O06—Ca10viii −159.9 (4)Ca07i—Si03—O10—Na06 68.3 (11) O11—Si03—O06—Na10vii −144.4 (4)Ca07—Si03—O10—Na06 −114.1 (11) O11—Si03—O08—Ca07 −114.16 (17)Ca07—Si03—O10—Ca07i 177.57 (7) O11—Si03—O08—Na07 −114.7 (5)Ca07i—Si03—O10—Na07i 0.8 (5) O11—Si03—O08—Ca9Axii 94.29 (17)Ca07—Si03—O10—Na07i 178.4 (5) O11—Si03—O08—Ca9A −20.2 (3)Ca07—Si03—O10—Ca9Axii 83.84 (15) O11—Si03—O08—Ca9B −34.2 (4)Ca07i—Si03—O10—Ca9Axii −93.73 (11) O11—Si03—O08—Ca9Bxii 94.20 (17)Ca07—Si03—O10—Ca9Bxii 86.87 (17) O11—Si03—O08—Ca10xii 162.5 (3)Ca07i—Si03—O10—Ca9Bxii −90.70 (14) O11—Si03—O08—Na10viii 172.0 (3)Ca07i—Si03—O11—Ca02 156.8 (5) O11—Si03—O10—Ca02viii 166.3 (3)Ca07—Si03—O11—Ca02 −19.4 (4) O11—Si03—O10—Na02viii 169.6 (2)Ca07—Si03—O11—Na02 −16.3 (4) O11—Si03—O10—Na03 87.00 (18)Ca07i—Si03—O11—Na02 160.0 (5) O11—Si03—O10—Na06 65.6 (11)Ca07—Si03—O11—Ca07i −176.26 (9) O11—Si03—O10—Ca07i −2.70 (18)Ca07i—Si03—O11—Na07i −1.6 (6) O11—Si03—O10—Na07i −1.9 (5)Ca07—Si03—O11—Na07i −177.8 (6) O11—Si03—O10—Ca9Axii −96.4 (2)Ca07i—Si03—O11—Ca10 79.0 (3) O11—Si03—O10—Ca9Bxii −93.4 (2)Ca07—Si03—O11—Ca10iv 92.4 (2) O12—Ca9A—Ca9B—Ca06xii 165.8 (6)Ca07—Si03—O11—Ca10 −97.2 (2) O12—Ca9A—Ca9B—Si01viii −120.9 (7)Ca07i—Si03—O11—Ca10iv −91.4 (3) O12—Ca9A—Ca9B—Si02i 93.8 (5)Ca07—Si03—O11—Na10 92.3 (2) O12—Ca9A—Ca9B—O01 122.8 (7)Ca07i—Si03—O11—Na10 −91.5 (2) O12—Ca9A—Ca9B—O02 −158.0 (8)Ca07—Si04—O05—Ca01 −158.94 (5) O12—Ca9A—Ca9B—O04 77.4 (5)Ca07—Si04—O05—Na04xi 123.11 (9) O12—Ca9A—Ca9B—O08xii −39 (43)Ca07—Si04—O05—Ca05 −68.93 (16) O12—Ca9A—Ca9B—O08 −35.9 (6)Ca07—Si04—O05—Ca06ii 141.7 (3) O12—Ca9A—Ca9B—O09 −103.9 (5)Ca07—Si04—O05—Na06ii 136.2 (4) O12—Ca9A—Ca9B—O10xii 174.0 (3)Ca07—Si04—O05—Ca08 35.14 (16) O12—Si04—O05—Ca01 −101.79 (17)Ca07—Si04—O12—Ca02 −134.0 (3) O12—Si04—O05—Na04xi −179.74 (17)Ca07—Si04—O12—Na02 −129.8 (2) O12—Si04—O05—Ca05 −11.8 (2)Ca07—Si04—O12—Na07 5.6 (5) O12—Si04—O05—Ca06ii −161.2 (3)Ca07—Si04—O12—Ca9A 124.0 (6) O12—Si04—O05—Na06ii −166.6 (5)Ca07—Si04—O12—Ca9B 117.1 (5) O12—Si04—O05—Ca08 92.29 (19)Ca07i—O13A—O13B—Na04xvi 38 (4) O13A—Si01—O13B—Na04xvi −169.7 (6)Ca07i—O13A—O13B—Ca06 60.7 (15) O13A—Si01—O13B—Ca06 −75.5 (8)Ca07i—O13A—O13B—Na06 56.2 (15) O13A—Si01—O13B—Na06 −82.6 (9)Ca07i—O13A—O13B—Ca08i 148.1 (14) O13A—Si01—O13B—Ca08i 66.4 (6)Ca07i—O13A—O13B—Si01 −75.2 (14) O13A—Si01—O14A—Na03 −83.1 (7)Na07i—Si01—O13A—Ca06 −105.1 (6) O13A—Si01—O14A—Na04xvi 52.8 (8)Na07vii—Si01—O13A—Ca06 −72.8 (14) O13A—Si01—O14A—Na06 −6.9 (4)Na07vii—Si01—O13A—Na06 −74.9 (14) O13A—Si01—O14A—Si04vii 168.2 (8)Na07i—Si01—O13A—Na06 −107.2 (7) O13A—Si01—O14A—O14B −168.6 (8)Na07i—Si01—O13A—Ca07i 3.9 (6) O13A—Si01—O14B—Na03 −58.2 (5)Na07vii—Si01—O13A—Ca07i 36.2 (12) O13A—Si01—O14B—Ca07vii −143.7 (3)Na07vii—Si01—O13A—Na07i 32.3 (17) O13A—Si01—O14B—Na07vii −149.8 (5)Na07vii—Si01—O13A—Ca08i 176.6 (10) O13A—Si01—O14B—Ca08xvi 118.4 (3)Na07i—Si01—O13A—Ca08i 144.3 (9) O13A—Si01—O14B—Si04vii 68.7 (15)supporting informationsup-29publCIFNa07vii—Si01—O13A—O13B −124.8 (12) O13A—Si01—O14B—O14A 13.9 (10)Na07i—Si01—O13A—O13B −157.1 (8) O13B—Si01—O13A—Ca06 52.0 (6)Na07vii—Si01—O13B—Na04xvi −43.2 (12) O13B—Si01—O13A—Na06 50.0 (6)Na07i—Si01—O13B—Na04xvi −152.5 (5) O13B—Si01—O13A—Ca07i 161.0 (6)Na07vii—Si01—O13B—Ca06 51.0 (15) O13B—Si01—O13A—Na07i 157.1 (8)Na07i—Si01—O13B—Ca06 −58.2 (7) O13B—Si01—O13A—Ca08i −58.6 (5)Na07vii—Si01—O13B—Na06 43.9 (16) O13B—Si01—O14A—Na03 −102.2 (8)Na07i—Si01—O13B—Na06 −65.4 (8) O13B—Si01—O14A—Na04xvi 33.7 (7)Na07vii—Si01—O13B—Ca08i −167.1 (9) O13B—Si01—O14A—Na06 −26.0 (4)Na07i—Si01—O13B—Ca08i 83.6 (7) O13B—Si01—O14A—Si04vii 149.0 (9)Na07i—Si01—O13B—O13A 17.2 (6) O13B—Si01—O14A—O14B 172.3 (9)Na07vii—Si01—O13B—O13A 126.5 (11) O13B—Si01—O14B—Na03 −79.8 (4)Na07i—Si01—O14A—Na03 −36.0 (11) O13B—Si01—O14B—Ca07vii −165.4 (3)Na07vii—Si01—O14A—Na03 72.3 (8) O13B—Si01—O14B—Na07vii −171.4 (5)Na07vii—Si01—O14A—Na04xvi −151.8 (9) O13B—Si01—O14B—Ca08xvi 96.7 (3)Na07i—Si01—O14A—Na04xvi 99.9 (7) O13B—Si01—O14B—Si04vii 47.1 (16)Na07i—Si01—O14A—Na06 40.2 (7) O13B—Si01—O14B—O14A −7.7 (9)Na07vii—Si01—O14A—Na06 148.5 (5) O14A—Si01—O13A—Ca06 12.2 (5)Na07i—Si01—O14A—Si04vii −144.8 (7) O14A—Si01—O13A—Na06 10.2 (5)Na07vii—Si01—O14A—Si04vii −36.5 (9) O14A—Si01—O13A—Ca07i 121.2 (3)Na07vii—Si01—O14A—O14B −13.2 (8) O14A—Si01—O13A—Na07i 117.3 (7)Na07i—Si01—O14A—O14B −121.5 (10) O14A—Si01—O13A—Ca08i −98.4 (5)Na07i—Si01—O14B—Na03 2.1 (7) O14A—Si01—O13A—O13B −39.8 (6)Na07vii—Si01—O14B—Na03 91.6 (5) O14A—Si01—O13B—Na04xvi −30.3 (4)Na07i—Si01—O14B—Ca07vii −83.4 (6) O14A—Si01—O13B—Ca06 64.0 (7)Na07vii—Si01—O14B—Ca07vii 6.1 (5) O14A—Si01—O13B—Na06 56.8 (7)Na07i—Si01—O14B—Na07vii −89.5 (8) O14A—Si01—O13B—Ca08i −154.2 (7)Na07i—Si01—O14B—Ca08xvi 178.7 (5) O14A—Si01—O13B—O13A 139.4 (6)Na07vii—Si01—O14B—Ca08xvi −91.8 (5) O14A—Si01—O14B—Na03 −72.1 (8)Na07vii—Si01—O14B—Si04vii −141.5 (17) O14A—Si01—O14B—Ca07vii −157.6 (9)Na07i—Si01—O14B—Si04vii 129.0 (14) O14A—Si01—O14B—Na07vii −163.7 (10)Na07i—Si01—O14B—O14A 74.2 (11) O14A—Si01—O14B—Ca08xvi 104.4 (9)Na07vii—Si01—O14B—O14A 163.7 (10) O14A—Si01—O14B—Si04vii 54.8 (18)Na07i—Si03—O06—Ca02viii −107.2 (5) O14Avii—Si04—O05—Ca01 117.2 (6)Na07i—Si03—O06—Na03 −31.1 (4) O14Avii—Si04—O05—Na04xi 39.2 (7)Na07i—Si03—O06—Na03vii 65.2 (5) O14Avii—Si04—O05—Ca05 −152.8 (7)Na07i—Si03—O06—Ca07 162.9 (4) O14Avii—Si04—O05—Ca06ii 57.8 (7)Na07i—Si03—O06—Na07 163.4 (5) O14Avii—Si04—O05—Na06ii 52.4 (8)Na07i—Si03—O06—Ca10viii −111.7 (6) O14Avii—Si04—O05—Ca08 −48.7 (7)Na07i—Si03—O06—Na10vii −96.3 (6) O14Avii—Si04—O12—Ca02 −107.3 (6)Na07i—Si03—O08—Ca07 −163.7 (4) O14Avii—Si04—O12—Na02 −103.1 (6)Na07i—Si03—O08—Na07 −164.2 (5) O14Avii—Si04—O12—Ca07 26.7 (6)Na07i—Si03—O08—Ca9A −69.7 (5) O14Avii—Si04—O12—Na07 32.3 (7)Na07i—Si03—O08—Ca9Axii 44.8 (4) O14Avii—Si04—O12—Ca9A 150.8 (7)Na07i—Si03—O08—Ca9Bxii 44.7 (4) O14Avii—Si04—O12—Ca9B 143.9 (7)Na07i—Si03—O08—Ca9B −83.7 (6) O14B—Si01—O13A—Ca06 5.8 (6)Na07i—Si03—O08—Ca10xii 113.0 (5) O14B—Si01—O13A—Na06 3.8 (6)Na07i—Si03—O08—Na10viii 122.5 (5) O14B—Si01—O13A—Ca07i 114.8 (4)Na07i—Si03—O10—Ca02viii 168.2 (5) O14B—Si01—O13A—Na07i 110.9 (7)Na07i—Si03—O10—Na02viii 171.5 (5) O14B—Si01—O13A—Ca08i −104.8 (5)Na07i—Si03—O10—Na03 88.9 (5) O14B—Si01—O13A—O13B −46.2 (6)Na07i—Si03—O10—Na06 67.5 (12) O14B—Si01—O13B—Na04xvi −26.7 (3)supporting informationsup-30publCIFNa07i—Si03—O10—Ca07i −0.8 (5) O14B—Si01—O13B—Ca06 67.6 (7)Na07i—Si03—O10—Ca9Axii −94.5 (5) O14B—Si01—O13B—Na06 60.4 (8)Na07i—Si03—O10—Ca9Bxii −91.5 (5) O14B—Si01—O13B—Ca08i −150.6 (6)Na07i—Si03—O11—Ca02 158.4 (7) O14B—Si01—O13B—O13A 143.0 (5)Na07i—Si03—O11—Na02 161.6 (7) O14B—Si01—O14A—Na03 85.5 (8)Na07i—Si03—O11—Ca07i 1.6 (6) O14B—Si01—O14A—Na04xvi −138.6 (14)Na07i—Si03—O11—Ca10iv −89.8 (6) O14B—Si01—O14A—Na06 161.7 (9)Na07i—Si03—O11—Ca10 80.6 (6) O14B—Si01—O14A—Si04vii −23.2 (9)Na07i—Si03—O11—Na10 −89.9 (6) O14Bvii—Si04—O05—Ca01 143.8 (4)Na07i—O13A—O13B—Na04xvi 28 (4) O14Bvii—Si04—O05—Na04xi 65.8 (4)Na07i—O13A—O13B—Ca06 50.8 (19) O14Bvii—Si04—O05—Ca05 −126.2 (4)Na07i—O13A—O13B—Na06 46.3 (19) O14Bvii—Si04—O05—Ca06ii 84.4 (5)Na07i—O13A—O13B—Ca08i 138.2 (18) O14Bvii—Si04—O05—Na06ii 79.0 (6)Na07i—O13A—O13B—Si01 −85.1 (18) O14Bvii—Si04—O05—Ca08 −22.1 (4)Ca08i—O13A—O13B—Na04xvi −110 (3) O14Bvii—Si04—O12—Ca02 −122.1 (3)Ca08i—O13A—O13B—Ca06 −87.46 (14) O14Bvii—Si04—O12—Na02 −117.9 (3)Ca08i—O13A—O13B—Na06 −92.0 (3) O14Bvii—Si04—O12—Ca07 11.9 (3)Ca08i—O13A—O13B—Si01 136.65 (17) O14Bvii—Si04—O12—Na07 17.5 (5)Ca9Aviii—Si02—O03—Ca01viii −69.2 (2) O14Bvii—Si04—O12—Ca9A 136.0 (6)Ca9Aviii—Si02—O03—Ca02viii 33.84 (18) O14Bvii—Si04—O12—Ca9B 129.1 (5)Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (ii) x−1/2, −y+1/2, z−1/2; (iii) −x, −y, −z; (iv) x, −y, z−1/2; (v) −x, y, −z+1/2; (vi) x−1/2, y−1/2, z; (vii) −x+1/2, −y+1/2, −z; (viii) −x+1/2, y+1/2, −z+1/2; (ix) x−1/2, y+1/2, z; (x) x, −y+1, z+1/2; (xi) −x, −y+1, −z; (xii) −x+1/2, −y+1/2, −z+1; (xiii) x+1/2, −y+1/2, z+1/2; (xiv) x, −y+1, z−1/2; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x+1/2, y+1/2, z.