# Fileset

[printcif_Li2Ca4Si4O13.pdf](https://mdr.nims.go.jp/filesets/9a1292dc-f826-4340-9b27-a455a9be9c17/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 Ca4Li2O13Si4Mr 494.56Crystal system, space groupTriclinic, P1Temperature (K) 301a, b, c (Å) 7.1593 (4), 8.2192 (4), 10.4182 (6)α, β, γ (°) 70.737 (5), 89.858 (4), 77.719 (5)V (Å3) 563.96 (6)Z 2Radiation type Mo Kαµ (mm−1) 2.42Crystal size (mm) 0.04 × 0.03 × 0.02Data collectionDiffractometer ROD, Synergy Custom system, HyPix-Arc 150Absorption correction Gaussian CrysAlis PRO 1.171.42.53a (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 0.939, 0.995No. of measured, independent andobserved [I > 2σ(I)] reflections18107, 3412, 3039 Rint 0.052(sin θ/λ)max (Å−1) 0.714RefinementR[F2 > 2σ(F2)], wR(F2), S 0.045, 0.109, 1.20No. of reflections 3412No. of parameters 208Δρmax, Δρmin (e Å−3) 1.07, −0.67Computer programs: CrysAlis PRO 1.171.42.53a (Rigaku OD, 2022), SHELXT (Sheldrick, 2015), SHELXL 2018/3 (Sheldrick, 2015), Olex2 1.5-ac5-023 (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 1.171.42.53a (Rigaku OD, 2022); cell refinement: CrysAlis PRO 1.171.42.53a (Rigaku OD, 2022); data reduction: CrysAlis PRO 1.171.42.53a (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-ac5-023 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 1.5-ac5-023 (Dolomanov et al., 2009). (z00151320901_pl_jp_inc_om100_bkg1) Crystal data Ca4Li2O13Si4Mr = 494.56Triclinic, P1a = 7.1593 (4) Åb = 8.2192 (4) Åc = 10.4182 (6) Åα = 70.737 (5)°β = 89.858 (4)°γ = 77.719 (5)°V = 563.96 (6) Å3Z = 2F(000) = 492Dx = 2.912 Mg m−3Mo Kα radiation, λ = 0.71073 ÅCell parameters from 7346 reflectionsθ = 2.7–52.2°µ = 2.42 mm−1T = 301 KIrregular, light brown0.04 × 0.03 × 0.02 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 1.171.42.53a (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 = 0.939, Tmax = 0.99518107 measured reflections3412 independent reflections3039 reflections with I > 2σ(I)Rint = 0.052θmax = 30.5°, θmin = 2.7°h = −10→10k = −11→11l = −14→14Refinement Refinement on F2Least-squares matrix: fullR[F2 > 2σ(F2)] = 0.045wR(F2) = 0.109S = 1.203412 reflections208 parameters0 restraintsPrimary atom site location: dualw = 1/[σ2(Fo2) + (0.0476P)2 + 1.1556P] where P = (Fo2 + 2Fc2)/3(Δ/σ)max < 0.001Δρmax = 1.07 e Å−3Δρmin = −0.67 e Å−3supporting 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*/UeqCa01 0.92881 (8) 0.29223 (8) 0.10560 (6) 0.01033 (13)Ca02 0.07009 (8) 0.69707 (8) 0.50534 (6) 0.01015 (13)Ca03 0.41678 (8) 0.30573 (8) 0.49700 (6) 0.01070 (13)Ca04 0.42446 (8) 0.28960 (8) 0.09733 (6) 0.01048 (13)Si01 0.57438 (12) 0.58482 (11) 0.22141 (8) 0.00860 (16)Si02 0.13667 (12) 0.59303 (11) 0.21937 (8) 0.00882 (16)Si03 0.21748 (12) 0.11724 (11) 0.80437 (8) 0.00912 (16)Si04 0.23332 (12) 0.07255 (11) 0.32133 (8) 0.00987 (17)Li01 0.2535 (13) 0.9079 (9) 0.0922 (7) 0.0318 (16)Li02 0.7275 (17) 0.0749 (10) 0.3856 (9) 0.050 (3)O01 0.0141 (3) 0.1653 (3) 0.3412 (2) 0.0147 (4)O02 0.7133 (3) 0.1246 (3) 0.5676 (2) 0.0131 (4)O03 0.4002 (3) 0.1765 (3) 0.3363 (2) 0.0143 (4)O04 0.3660 (3) 0.5077 (3) 0.6200 (2) 0.0111 (4)O05 0.1179 (3) 0.5030 (3) 0.3777 (2) 0.0108 (4)O06 0.1206 (3) 0.4900 (3) 0.1162 (2) 0.0115 (4)O07 0.6354 (3) 0.4676 (3) 0.1259 (2) 0.0128 (4)O08 0.2286 (3) 0.0885 (3) 0.1600 (2) 0.0114 (4)O09 0.0058 (3) 0.2080 (3) 0.8434 (2) 0.0149 (4)O10 0.3628 (3) 0.2258 (3) 0.8470 (2) 0.0159 (5)O11 0.7269 (3) 0.0874 (3) 0.1011 (2) 0.0120 (4)O12 0.2150 (3) 0.1490 (3) 0.6435 (2) 0.0127 (4)O13 0.3410 (3) 0.6558 (3) 0.1981 (2) 0.0131 (4)Atomic displacement parameters (Å2) U11 U22 U33 U12 U13 U23Ca01 0.0095 (3) 0.0077 (3) 0.0129 (3) −0.0017 (2) 0.0001 (2) −0.0025 (2)Ca02 0.0094 (3) 0.0102 (3) 0.0121 (3) −0.0028 (2) 0.0024 (2) −0.0052 (2)Ca03 0.0096 (3) 0.0101 (3) 0.0130 (3) −0.0020 (2) 0.0013 (2) −0.0046 (2)Ca04 0.0100 (3) 0.0080 (3) 0.0129 (3) −0.0025 (2) 0.0018 (2) −0.0025 (2)Si01 0.0094 (4) 0.0070 (4) 0.0097 (3) −0.0026 (3) 0.0011 (3) −0.0028 (3)Si02 0.0102 (4) 0.0070 (4) 0.0095 (3) −0.0021 (3) 0.0012 (3) −0.0031 (3)Si03 0.0095 (4) 0.0068 (4) 0.0108 (4) −0.0021 (3) 0.0013 (3) −0.0024 (3)Si04 0.0119 (4) 0.0068 (4) 0.0105 (4) −0.0016 (3) 0.0011 (3) −0.0027 (3)Li01 0.061 (5) 0.015 (3) 0.021 (3) −0.008 (3) 0.006 (3) −0.008 (3)Li02 0.098 (8) 0.012 (3) 0.041 (5) −0.004 (4) 0.006 (5) −0.015 (3)O01 0.0178 (11) 0.0125 (11) 0.0130 (10) −0.0003 (8) 0.0031 (8) −0.0051 (8)O02 0.0117 (10) 0.0078 (10) 0.0169 (10) −0.0005 (8) 0.0004 (8) −0.0016 (8)O03 0.0194 (11) 0.0123 (11) 0.0139 (10) −0.0071 (9) 0.0018 (8) −0.0057 (8)O04 0.0118 (10) 0.0083 (10) 0.0119 (9) −0.0016 (8) −0.0001 (8) −0.0023 (8)O05 0.0120 (10) 0.0091 (10) 0.0110 (9) −0.0022 (8) 0.0022 (8) −0.0029 (8)O06 0.0155 (10) 0.0108 (10) 0.0101 (9) −0.0043 (8) 0.0021 (8) −0.0051 (8)supporting informationsup-3publCIFO07 0.0123 (10) 0.0131 (10) 0.0147 (10) −0.0016 (8) 0.0024 (8) −0.0080 (8)O08 0.0138 (10) 0.0096 (10) 0.0113 (9) −0.0025 (8) 0.0011 (8) −0.0045 (8)O09 0.0136 (10) 0.0100 (10) 0.0173 (10) 0.0003 (8) 0.0033 (8) −0.0016 (8)O10 0.0167 (11) 0.0127 (11) 0.0180 (11) −0.0079 (9) −0.0008 (9) −0.0021 (9)O11 0.0114 (10) 0.0062 (9) 0.0169 (10) −0.0012 (8) 0.0006 (8) −0.0024 (8)O12 0.0133 (10) 0.0108 (10) 0.0130 (10) −0.0011 (8) 0.0012 (8) −0.0038 (8)O13 0.0102 (10) 0.0113 (10) 0.0175 (10) −0.0021 (8) 0.0012 (8) −0.0045 (8)Geometric parameters (Å, º) Ca01—Ca04i 3.5450 (8) Ca04—Si04 2.9626 (10)Ca01—Si02ii 3.2069 (10) Ca04—Li02 3.427 (10)Ca01—Si04i 2.9558 (10) Ca04—O03 2.373 (2)Ca01—Li01ii 3.438 (7) Ca04—O06 2.484 (2)Ca01—Li02 3.379 (10) Ca04—O07ii 2.481 (2)Ca01—O01i 2.352 (2) Ca04—O07 2.396 (2)Ca01—O06i 2.369 (2) Ca04—O08 2.322 (2)Ca01—O06ii 2.382 (2) Ca04—O10ix 2.877 (2)Ca01—O07 2.334 (2) Ca04—O11 2.425 (2)Ca01—O08i 2.363 (2) Si01—Li01 3.034 (8)Ca01—O09iii 3.053 (2) Si01—O04vi 1.589 (2)Ca01—O11 2.452 (2) Si01—O07 1.600 (2)Ca02—Ca03iv 3.4908 (8) Si01—O10vi 1.642 (2)Ca02—Si02 3.3668 (10) Si01—O13 1.639 (2)Ca02—Si04v 3.4906 (10) Si02—Li01 2.794 (7)Ca02—Si04iv 3.4716 (10) Si02—O05 1.588 (2)Ca02—Li02vi 3.078 (10) Si02—O06 1.590 (2)Ca02—Li02vii 3.382 (9) Si02—O09iv 1.653 (2)Ca02—O01iv 2.258 (2) Si02—O13 1.643 (2)Ca02—O02vi 2.315 (2) Si03—Li01x 2.903 (7)Ca02—O04 2.392 (2) Si03—Li02viii 2.891 (8)Ca02—O05iv 2.369 (2) Si03—O09 1.654 (2)Ca02—O05 2.365 (2) Si03—O10 1.654 (2)Ca02—O12iv 2.407 (2) Si03—O11viii 1.607 (2)Ca03—Si01 3.3939 (10) Si03—O12 1.608 (2)Ca03—Si01vi 3.3445 (10) Si04—Li01xi 3.098 (7)Ca03—Si02 3.3869 (10) Si04—Li02viii 2.879 (9)Ca03—Si04 3.4850 (10) Si04—O01 1.637 (2)Ca03—Li02 3.089 (10) Si04—O02viii 1.616 (2)Ca03—Li02viii 3.346 (9) Si04—O03 1.645 (2)Ca03—O02 2.281 (2) Si04—O08 1.642 (2)Ca03—O03 2.274 (2) Li01—O08v 1.820 (7)Ca03—O04 2.382 (2) Li01—O09iv 2.264 (9)Ca03—O04vi 2.455 (2) Li01—O11ii 2.006 (7)Ca03—O05 2.441 (2) Li01—O13 1.961 (7)Ca03—O12 2.358 (2) Li02—O01i 2.322 (12)Ca04—Si01 3.4489 (10) Li02—O02 2.066 (9)Ca04—Si01ii 3.1360 (10) Li02—O03 2.311 (12)Ca04—Si02 3.4604 (10) Li02—O12viii 1.922 (8)Si02ii—Ca01—Ca04i 93.58 (2) O05—Si02—Ca04 109.33 (9)Si02ii—Ca01—Li01ii 49.58 (12) O05—Si02—Li01 127.21 (16)supporting informationsup-4publCIFSi02ii—Ca01—Li02 138.26 (18) O05—Si02—O06 120.64 (12)Si04i—Ca01—Ca04i 53.29 (2) O05—Si02—O09iv 112.22 (12)Si04i—Ca01—Si02ii 137.80 (3) O05—Si02—O13 108.97 (12)Si04i—Ca01—Li01ii 118.05 (13) O06—Si02—Ca01xii 28.60 (8)Si04i—Ca01—Li02 70.64 (19) O06—Si02—Ca01ii 45.58 (8)Si04i—Ca01—O09iii 110.21 (5) O06—Si02—Ca02iv 95.20 (8)Li01ii—Ca01—Ca04i 117.41 (14) O06—Si02—Ca02 157.38 (9)Li02—Ca01—Ca04i 123.52 (19) O06—Si02—Ca03 107.51 (9)Li02—Ca01—Li01ii 92.8 (2) O06—Si02—Ca04 40.79 (8)O01i—Ca01—Ca04i 81.58 (6) O06—Si02—Li01 111.48 (16)O01i—Ca01—Si02ii 170.17 (6) O06—Si02—O09iv 108.08 (12)O01i—Ca01—Si04i 33.55 (6) O06—Si02—O13 107.10 (12)O01i—Ca01—Li01ii 125.49 (13) O09iv—Si02—Ca01ii 69.61 (9)O01i—Ca01—Li02 43.4 (2) O09iv—Si02—Ca01xii 107.75 (9)O01i—Ca01—O06ii 158.30 (8) O09iv—Si02—Ca02 79.63 (9)O01i—Ca01—O06i 83.75 (8) O09iv—Si02—Ca02iv 111.68 (9)O01i—Ca01—O08i 66.48 (8) O09iv—Si02—Ca03 144.02 (9)O01i—Ca01—O09iii 139.71 (7) O09iv—Si02—Ca04 137.84 (9)O01i—Ca01—O11 94.92 (8) O09iv—Si02—Li01 54.13 (19)O06ii—Ca01—Ca04i 88.62 (6) O13—Si02—Ca01ii 88.52 (9)O06i—Ca01—Ca04i 44.37 (6) O13—Si02—Ca01xii 133.93 (9)O06ii—Ca01—Si02ii 28.46 (5) O13—Si02—Ca02iv 135.85 (9)O06i—Ca01—Si02ii 98.83 (6) O13—Si02—Ca02 92.56 (9)O06ii—Ca01—Si04i 141.91 (6) O13—Si02—Ca03 77.19 (8)O06i—Ca01—Si04i 76.10 (6) O13—Si02—Ca04 75.54 (9)O06ii—Ca01—Li01ii 76.20 (13) O13—Si02—Li01 43.5 (2)O06i—Ca01—Li01ii 146.62 (13) O13—Si02—O09iv 97.16 (12)O06i—Ca01—Li02 120.58 (17) Ca01viii—Si03—Ca04viii 60.693 (19)O06ii—Ca01—Li02 147.0 (2) Ca02iv—Si03—Ca01viii 93.72 (2)O06i—Ca01—O06ii 75.78 (8) Ca02iv—Si03—Ca04viii 125.42 (3)O06i—Ca01—O09iii 107.57 (7) Ca03—Si03—Ca01viii 124.16 (3)O06ii—Ca01—O09iii 56.12 (7) Ca03—Si03—Ca02iv 59.479 (19)O06i—Ca01—O11 178.33 (8) Ca03—Si03—Ca04viii 94.24 (2)O06ii—Ca01—O11 105.41 (8) Li01x—Si03—Ca01viii 63.23 (15)O07—Ca01—Ca04i 141.18 (6) Li01x—Si03—Ca02iv 147.91 (17)O07—Ca01—Si02ii 93.56 (6) Li01x—Si03—Ca03 151.70 (18)O07—Ca01—Si04i 128.55 (6) Li01x—Si03—Ca04viii 64.48 (15)O07—Ca01—Li01ii 95.84 (15) Li02viii—Si03—Ca01viii 62.06 (19)O07—Ca01—Li02 70.18 (18) Li02viii—Si03—Ca02iv 62.7 (2)O07—Ca01—O01i 95.55 (8) Li02viii—Si03—Ca03 62.10 (19)O07—Ca01—O06ii 80.03 (8) Li02viii—Si03—Ca04viii 62.7 (2)O07—Ca01—O06i 96.82 (8) Li02viii—Si03—Li01x 116.8 (2)O07—Ca01—O08i 162.04 (8) O09—Si03—Ca01viii 88.51 (9)O07—Ca01—O09iii 120.25 (7) O09—Si03—Ca02iv 74.59 (9)O07—Ca01—O11 82.29 (8) O09—Si03—Ca03 122.84 (9)O08i—Ca01—Ca04i 40.40 (5) O09—Si03—Ca04viii 141.90 (9)O08i—Ca01—Si02ii 104.35 (6) O09—Si03—Li01x 82.38 (19)O08i—Ca01—Si04i 33.68 (5) O09—Si03—Li02viii 124.4 (3)O08i—Ca01—Li01ii 94.82 (15) O09—Si03—O10 103.22 (13)O08i—Ca01—Li02 94.92 (18) O10—Si03—Ca01viii 145.09 (9)O08i—Ca01—O06ii 116.64 (8) O10—Si03—Ca02iv 121.01 (9)O08i—Ca01—O06i 81.92 (8) O10—Si03—Ca03 76.70 (9)supporting informationsup-5publCIFO08i—Ca01—O09iii 76.80 (7) O10—Si03—Ca04viii 92.88 (9)O08i—Ca01—O11 98.49 (8) O10—Si03—Li01x 85.56 (18)O09iii—Ca01—Ca04i 80.99 (5) O10—Si03—Li02viii 128.4 (3)O09iii—Ca01—Si02ii 30.49 (5) O11viii—Si03—Ca01viii 35.88 (8)O09iii—Ca01—Li01ii 40.29 (14) O11viii—Si03—Ca02iv 127.15 (9)O09iii—Ca01—Li02 129.52 (15) O11viii—Si03—Ca03 125.67 (9)O11—Ca01—Ca04i 136.49 (6) O11viii—Si03—Ca04viii 33.65 (8)O11—Ca01—Si02ii 82.66 (6) O11viii—Si03—Li01x 41.52 (16)O11—Ca01—Si04i 103.33 (6) O11viii—Si03—Li02viii 75.37 (19)O11—Ca01—Li01ii 35.02 (13) O11viii—Si03—O09 108.38 (12)O11—Ca01—Li02 57.79 (17) O11viii—Si03—O10 109.79 (12)O11—Ca01—O09iii 74.10 (7) O11viii—Si03—O12 114.10 (12)Si02—Ca02—Ca03iv 94.30 (2) O12—Si03—Ca01viii 95.32 (9)Si02—Ca02—Si04iv 146.98 (3) O12—Si03—Ca02iv 35.61 (8)Si02—Ca02—Si04v 84.01 (2) O12—Si03—Ca03 34.03 (8)Si02—Ca02—Li02vii 100.28 (15) O12—Si03—Ca04viii 95.50 (9)Si04v—Ca02—Ca03iv 121.60 (2) O12—Si03—Li01x 155.53 (16)Si04iv—Ca02—Ca03iv 60.07 (2) O12—Si03—Li02viii 38.75 (19)Si04iv—Ca02—Si04v 92.15 (2) O12—Si03—O09 110.19 (12)Li02vii—Ca02—Ca03iv 58.23 (19) O12—Si03—O10 110.58 (12)Li02vi—Ca02—Ca03iv 127.6 (2) Ca01xii—Si04—Ca02xi 106.47 (3)Li02vi—Ca02—Si02 129.15 (19) Ca01xii—Si04—Ca02iv 78.43 (3)Li02vi—Ca02—Si04iv 68.0 (2) Ca01xii—Si04—Ca03viii 156.36 (3)Li02vii—Ca02—Si04v 64.70 (18) Ca01xii—Si04—Ca03 114.36 (3)Li02vi—Ca02—Si04v 51.52 (17) Ca01xii—Si04—Ca04 73.59 (3)Li02vii—Ca02—Si04iv 49.66 (15) Ca01xii—Si04—Li01xi 71.65 (15)Li02vi—Ca02—Li02vii 83.3 (3) Ca02iv—Si04—Ca02xi 87.85 (2)O01iv—Ca02—Ca03iv 81.51 (6) Ca02iv—Si04—Ca03 60.24 (2)O01iv—Ca02—Si02 165.23 (7) Ca02iv—Si04—Ca03viii 120.19 (3)O01iv—Ca02—Si04v 86.16 (6) Ca02xi—Si04—Ca03viii 63.17 (2)O01iv—Ca02—Si04iv 22.64 (6) Ca03—Si04—Ca02xi 119.17 (3)O01iv—Ca02—Li02vi 48.7 (2) Ca03—Si04—Ca03viii 88.67 (2)O01iv—Ca02—Li02vii 65.45 (16) Ca04—Si04—Ca02iv 115.69 (3)O01iv—Ca02—O02vi 87.92 (9) Ca04—Si04—Ca02xi 155.40 (3)O01iv—Ca02—O04 98.37 (8) Ca04—Si04—Ca03viii 106.69 (3)O01iv—Ca02—O05 166.10 (9) Ca04—Si04—Ca03 81.07 (3)O01iv—Ca02—O05iv 86.08 (8) Ca04—Si04—Li01xi 73.26 (14)O01iv—Ca02—O12iv 94.11 (8) Li01xi—Si04—Ca02iv 144.79 (17)O02vi—Ca02—Ca03iv 143.74 (6) Li01xi—Si04—Ca02xi 83.34 (13)O02vi—Ca02—Si02 87.21 (6) Li01xi—Si04—Ca03 150.81 (16)O02vi—Ca02—Si04iv 101.56 (6) Li01xi—Si04—Ca03viii 85.66 (15)O02vi—Ca02—Si04v 22.49 (6) Li02viii—Si04—Ca01xii 137.7 (2)O02vi—Ca02—Li02vi 42.15 (19) Li02viii—Si04—Ca02iv 63.55 (19)O02vi—Ca02—Li02vii 85.80 (19) Li02viii—Si04—Ca02xi 56.82 (19)O02vi—Ca02—O04 77.35 (8) Li02viii—Si04—Ca03viii 56.73 (19)O02vi—Ca02—O05iv 168.72 (8) Li02viii—Si04—Ca03 62.58 (18)O02vi—Ca02—O05 105.52 (8) Li02viii—Si04—Ca04 138.7 (2)O02vi—Ca02—O12iv 104.77 (8) Li02viii—Si04—Li01xi 133.5 (2)O04—Ca02—Ca03iv 138.38 (6) O01—Si04—Ca01xii 52.54 (8)O04—Ca02—Si02 94.16 (6) O01—Si04—Ca02xi 80.10 (9)O04—Ca02—Si04iv 118.77 (6) O01—Si04—Ca02iv 32.07 (8)O04—Ca02—Si04v 99.79 (6) O01—Si04—Ca03 90.66 (9)supporting informationsup-6publCIFO04—Ca02—Li02vii 157.23 (18) O01—Si04—Ca03viii 137.00 (9)O04—Ca02—Li02vi 73.90 (19) O01—Si04—Ca04 115.65 (9)O04—Ca02—O12iv 167.43 (8) O01—Si04—Li01xi 112.72 (19)O05iv—Ca02—Ca03iv 44.29 (5) O01—Si04—Li02viii 85.3 (2)O05—Ca02—Ca03iv 89.36 (6) O01—Si04—O03 116.13 (13)O05—Ca02—Si02 25.24 (5) O01—Si04—O08 104.00 (12)O05iv—Ca02—Si02 100.87 (6) O02viii—Si04—Ca01xii 138.52 (9)O05iv—Ca02—Si04iv 75.95 (6) O02viii—Si04—Ca02xi 33.22 (8)O05iv—Ca02—Si04v 164.95 (6) O02viii—Si04—Ca02iv 101.88 (9)O05—Ca02—Si04v 107.60 (6) O02viii—Si04—Ca03 100.48 (9)O05—Ca02—Si04iv 149.32 (6) O02viii—Si04—Ca03viii 30.78 (8)O05—Ca02—Li02vi 142.6 (2) O02viii—Si04—Ca04 136.33 (9)O05—Ca02—Li02vii 118.16 (16) O02viii—Si04—Li01xi 89.03 (15)O05iv—Ca02—Li02vi 128.65 (19) O02viii—Si04—Li02viii 44.53 (17)O05iv—Ca02—Li02vii 100.31 (19) O02viii—Si04—O01 107.99 (12)O05—Ca02—O04 81.51 (8) O02viii—Si04—O03 108.50 (12)O05iv—Ca02—O04 94.08 (8) O02viii—Si04—O08 116.90 (12)O05—Ca02—O05iv 80.08 (8) O03—Si04—Ca01xii 112.98 (9)O05—Ca02—O12iv 86.00 (8) O03—Si04—Ca02iv 89.98 (9)O05iv—Ca02—O12iv 85.20 (8) O03—Si04—Ca02xi 139.17 (9)O12iv—Ca02—Ca03iv 42.35 (5) O03—Si04—Ca03 32.42 (8)O12iv—Ca02—Si02 73.71 (6) O03—Si04—Ca03viii 83.28 (9)O12iv—Ca02—Si04v 82.53 (6) O03—Si04—Ca04 53.11 (8)O12iv—Ca02—Si04iv 73.27 (6) O03—Si04—Li01xi 118.40 (18)O12iv—Ca02—Li02vi 116.18 (19) O03—Si04—Li02viii 86.0 (2)O12iv—Ca02—Li02vii 33.75 (17) O08—Si04—Ca01xii 52.93 (8)Si01vi—Ca03—Si01 114.27 (2) O08—Si04—Ca02iv 131.14 (9)Si01vi—Ca03—Si02 118.63 (3) O08—Si04—Ca02xi 108.30 (8)Si01—Ca03—Si04 96.26 (2) O08—Si04—Ca03 132.08 (9)Si01vi—Ca03—Si04 147.79 (3) O08—Si04—Ca03viii 108.03 (9)Si01vi—Ca03—Li02viii 101.36 (15) O08—Si04—Ca04 51.32 (8)Si02—Ca03—Si01 54.79 (2) O08—Si04—Li01xi 28.03 (15)Si02—Ca03—Si04 70.29 (2) O08—Si04—Li02viii 161.43 (18)Li02—Ca03—Si01 73.26 (16) O08—Si04—O03 103.60 (12)Li02viii—Ca03—Si01 144.19 (15) Ca01ii—Li01—Ca01vii 112.8 (2)Li02—Ca03—Si01vi 130.7 (2) Ca01vii—Li01—Ca04v 59.32 (11)Li02viii—Ca03—Si02 111.21 (19) Ca01ii—Li01—Ca04v 146.2 (2)Li02—Ca03—Si02 105.30 (18) Ca01ii—Li01—Ca04ii 62.69 (12)Li02viii—Ca03—Si04 49.80 (16) Ca04ii—Li01—Ca01vii 147.7 (2)Li02—Ca03—Si04 66.2 (2) Ca04ii—Li01—Ca04v 105.2 (2)Li02—Ca03—Li02viii 81.1 (3) Si01—Li01—Ca01vii 151.0 (2)O02—Ca03—Si01vi 89.00 (6) Si01—Li01—Ca01ii 92.27 (18)O02—Ca03—Si01 93.71 (6) Si01—Li01—Ca04v 107.2 (2)O02—Ca03—Si02 143.67 (6) Si01—Li01—Ca04ii 56.66 (13)O02—Ca03—Si04 99.48 (6) Si01—Li01—Si04v 98.8 (2)O02—Ca03—Li02viii 83.0 (2) Si02—Li01—Ca01vii 114.3 (3)O02—Ca03—Li02 42.0 (2) Si02—Li01—Ca01ii 60.91 (14)O02—Ca03—O04 107.74 (8) Si02—Li01—Ca04v 152.6 (2)O02—Ca03—O04vi 76.70 (8) Si02—Li01—Ca04ii 91.96 (18)O02—Ca03—O05 169.02 (8) Si02—Li01—Si01 64.59 (15)O02—Ca03—O12 102.96 (8) Si02—Li01—Si03xiii 128.6 (3)O03—Ca03—Si01vi 167.89 (6) Si02—Li01—Si04v 102.2 (2)supporting informationsup-7publCIFO03—Ca03—Si01 77.58 (6) Si03xiii—Li01—Ca01vii 81.26 (17)O03—Ca03—Si02 69.61 (6) Si03xiii—Li01—Ca01ii 67.83 (15)O03—Ca03—Si04 22.82 (6) Si03xiii—Li01—Ca04v 78.38 (16)O03—Ca03—Li02viii 66.68 (16) Si03xiii—Li01—Ca04ii 67.32 (14)O03—Ca03—Li02 48.2 (2) Si03xiii—Li01—Si01 123.3 (3)O03—Ca03—O02 87.67 (9) Si03xiii—Li01—Si04v 123.0 (2)O03—Ca03—O04vi 96.03 (8) Si04v—Li01—Ca01ii 153.2 (3)O03—Ca03—O04 163.32 (9) Si04v—Li01—Ca01vii 52.31 (11)O03—Ca03—O05 83.75 (8) Si04v—Li01—Ca04v 51.65 (11)O03—Ca03—O12 95.09 (8) Si04v—Li01—Ca04ii 142.8 (3)O04—Ca03—Si01vi 25.90 (5) O08v—Li01—Ca01vii 37.06 (19)O04vi—Ca03—Si01 25.67 (5) O08v—Li01—Ca01ii 149.8 (4)O04vi—Ca03—Si01vi 94.52 (6) O08v—Li01—Ca04ii 138.2 (4)O04—Ca03—Si01 94.66 (6) O08v—Li01—Ca04v 33.30 (17)O04—Ca03—Si02 93.82 (6) O08v—Li01—Si01 117.3 (4)O04vi—Ca03—Si02 77.94 (5) O08v—Li01—Si02 124.5 (3)O04vi—Ca03—Si04 117.65 (6) O08v—Li01—Si03xiii 97.9 (3)O04—Ca03—Si04 149.87 (6) O08v—Li01—Si04v 25.09 (13)O04vi—Ca03—Li02viii 153.97 (18) O08v—Li01—O09iv 104.8 (4)O04vi—Ca03—Li02 72.92 (18) O08v—Li01—O11ii 129.5 (4)O04—Ca03—Li02viii 120.38 (16) O08v—Li01—O13 125.5 (4)O04—Ca03—Li02 143.9 (2) O09iv—Li01—Ca01ii 60.69 (18)O04—Ca03—O04vi 81.79 (8) O09iv—Li01—Ca01vii 80.9 (2)O04—Ca03—O05 80.15 (8) O09iv—Li01—Ca04v 137.4 (3)O05—Ca03—Si01vi 100.77 (6) O09iv—Li01—Ca04ii 117.0 (3)O05—Ca03—Si01 77.78 (5) O09iv—Li01—Si01 100.6 (2)O05—Ca03—Si02 25.64 (5) O09iv—Li01—Si02 36.27 (12)O05—Ca03—Si04 74.89 (6) O09iv—Li01—Si03xiii 112.0 (3)O05—Ca03—Li02 127.65 (19) O09iv—Li01—Si04v 93.1 (2)O05—Ca03—Li02viii 99.7 (2) O11ii—Li01—Ca01ii 44.54 (17)O05—Ca03—O04vi 97.36 (7) O11ii—Li01—Ca01vii 110.5 (3)O12—Ca03—Si01 161.57 (6) O11ii—Li01—Ca04ii 41.90 (17)O12—Ca03—Si01vi 74.33 (6) O11ii—Li01—Ca04v 104.4 (3)O12—Ca03—Si02 106.85 (6) O11ii—Li01—Si01 97.4 (3)O12—Ca03—Si04 73.49 (6) O11ii—Li01—Si02 102.7 (3)O12—Ca03—Li02 114.48 (18) O11ii—Li01—Si03xiii 32.07 (12)O12—Ca03—Li02viii 34.14 (17) O11ii—Li01—Si04v 154.3 (3)O12—Ca03—O04vi 168.84 (8) O11ii—Li01—O09iv 103.2 (3)O12—Ca03—O04 87.78 (8) O13—Li01—Ca01ii 77.4 (2)O12—Ca03—O05 84.67 (8) O13—Li01—Ca01vii 140.4 (3)Si01ii—Ca04—Si01 110.38 (2) O13—Li01—Ca04v 131.3 (3)Si01ii—Ca04—Si02 113.89 (3) O13—Li01—Ca04ii 71.8 (2)Si01—Ca04—Si02 53.69 (2) O13—Li01—Si01 29.42 (15)Si01ii—Ca04—Li02 141.11 (18) O13—Li01—Si02 35.22 (14)Si04—Ca04—Si01ii 140.27 (3) O13—Li01—Si03xiii 134.9 (3)Si04—Ca04—Si01 105.82 (3) O13—Li01—Si04v 100.9 (3)Si04—Ca04—Si02 75.60 (3) O13—Li01—O09iv 71.2 (2)Si04—Ca04—Li02 68.30 (18) O13—Li01—O11ii 103.0 (3)Li02—Ca04—Si01 68.61 (13) Ca01—Li02—Ca02xiv 99.9 (3)Li02—Ca04—Si02 96.81 (15) Ca01—Li02—Ca04 64.20 (16)O03—Ca04—Si01 75.29 (6) Ca02vi—Li02—Ca01 78.3 (2)O03—Ca04—Si01ii 173.92 (6) Ca02vi—Li02—Ca02xiv 96.7 (3)supporting informationsup-8publCIFO03—Ca04—Si02 67.33 (6) Ca02vi—Li02—Ca03viii 138.9 (3)O03—Ca04—Si04 33.67 (6) Ca02vi—Li02—Ca03 73.02 (17)O03—Ca04—Li02 42.27 (19) Ca02vi—Li02—Ca04 117.0 (2)O03—Ca04—O06 80.38 (8) Ca02xiv—Li02—Ca04 136.6 (3)O03—Ca04—O07ii 152.23 (8) Ca03viii—Li02—Ca01 136.9 (3)O03—Ca04—O07 91.14 (8) Ca03—Li02—Ca01 116.1 (2)O03—Ca04—O10ix 143.04 (7) Ca03viii—Li02—Ca02xiv 62.52 (14)O03—Ca04—O11 94.63 (8) Ca03—Li02—Ca02xiv 138.7 (3)O06—Ca04—Si01ii 98.61 (5) Ca03—Li02—Ca03viii 98.9 (3)O06—Ca04—Si01 76.34 (5) Ca03viii—Li02—Ca04 100.5 (3)O06—Ca04—Si02 24.71 (5) Ca03—Li02—Ca04 80.3 (2)O06—Ca04—Si04 74.37 (5) Si03viii—Li02—Ca01 68.8 (2)O06—Ca04—Li02 117.68 (17) Si03viii—Li02—Ca02vi 139.7 (4)O06—Ca04—O10ix 104.31 (7) Si03viii—Li02—Ca02xiv 67.86 (17)O07—Ca04—Si01ii 94.94 (6) Si03viii—Li02—Ca03 142.6 (4)O07ii—Ca04—Si01 86.04 (6) Si03viii—Li02—Ca03viii 68.09 (17)O07ii—Ca04—Si01ii 30.34 (5) Si03viii—Li02—Ca04 68.7 (2)O07—Ca04—Si01 24.19 (5) Si04viii—Li02—Ca01 144.9 (4)O07—Ca04—Si02 76.48 (6) Si04viii—Li02—Ca02vi 71.7 (2)O07ii—Ca04—Si02 85.09 (5) Si04viii—Li02—Ca02xiv 66.80 (19)O07—Ca04—Si04 124.51 (6) Si04viii—Li02—Ca03 72.1 (2)O07ii—Ca04—Si04 143.51 (6) Si04viii—Li02—Ca03viii 67.62 (18)O07ii—Ca04—Li02 145.89 (18) Si04viii—Li02—Ca04 147.2 (4)O07—Ca04—Li02 68.67 (17) Si04viii—Li02—Si03viii 127.0 (3)O07—Ca04—O06 96.84 (8) O01i—Li02—Ca01 44.06 (18)O07ii—Ca04—O06 75.28 (7) O01i—Li02—Ca02vi 46.91 (19)O07—Ca04—O07ii 78.84 (8) O01i—Li02—Ca02xiv 75.5 (3)O07—Ca04—O10ix 123.82 (7) O01i—Li02—Ca03 116.6 (3)O07ii—Ca04—O10ix 58.21 (7) O01i—Li02—Ca03viii 137.8 (4)O07—Ca04—O11 81.60 (8) O01i—Li02—Ca04 107.1 (3)O08—Ca04—Si01ii 107.18 (6) O01i—Li02—Si03viii 92.8 (3)O08—Ca04—Si01 138.06 (6) O01i—Li02—Si04viii 101.0 (4)O08—Ca04—Si02 94.18 (6) O02—Li02—Ca01 126.3 (4)O08—Ca04—Si04 33.51 (5) O02—Li02—Ca02xiv 95.2 (3)O08—Ca04—Li02 93.07 (18) O02—Li02—Ca02vi 48.8 (2)O08—Ca04—O03 66.75 (8) O02—Li02—Ca03 47.6 (2)O08—Ca04—O06 80.29 (8) O02—Li02—Ca03viii 95.6 (3)O08—Ca04—O07 157.88 (8) O02—Li02—Ca04 127.3 (4)O08—Ca04—O07ii 120.84 (8) O02—Li02—Si03viii 160.3 (4)O08—Ca04—O10ix 77.80 (7) O02—Li02—Si04viii 33.27 (15)O08—Ca04—O11 99.26 (8) O02—Li02—O01i 92.5 (4)O10ix—Ca04—Si01ii 31.32 (5) O02—Li02—O03 92.1 (4)O10ix—Ca04—Si01 141.67 (5) O03—Li02—Ca01 105.7 (3)O10ix—Ca04—Si02 127.58 (5) O03—Li02—Ca02vi 115.9 (3)O10ix—Ca04—Si04 111.25 (5) O03—Li02—Ca02xiv 141.8 (4)O10ix—Ca04—Li02 134.89 (15) O03—Li02—Ca03viii 79.5 (3)O11—Ca04—Si01ii 86.52 (6) O03—Li02—Ca03 47.16 (19)O11—Ca04—Si01 100.96 (6) O03—Li02—Ca04 43.69 (18)O11—Ca04—Si02 150.99 (6) O03—Li02—Si03viii 95.5 (3)O11—Ca04—Si04 102.35 (6) O03—Li02—Si04viii 103.5 (4)O11—Ca04—Li02 57.09 (17) O03—Li02—O01i 141.6 (4)O11—Ca04—O06 174.77 (8) O12viii—Li02—Ca01 95.5 (3)supporting informationsup-9publCIFO11—Ca04—O07ii 109.18 (8) O12viii—Li02—Ca02vi 139.2 (5)O11—Ca04—O10ix 80.62 (7) O12viii—Li02—Ca02xiv 44.1 (2)Ca01—Si01—Ca02vi 68.82 (2) O12viii—Li02—Ca03viii 43.5 (2)Ca03—Si01—Ca01 103.31 (3) O12viii—Li02—Ca03 141.0 (5)Ca03vi—Si01—Ca01 130.07 (3) O12viii—Li02—Ca04 95.1 (4)Ca03vi—Si01—Ca02vi 62.98 (2) O12viii—Li02—Si03viii 31.58 (16)Ca03—Si01—Ca02vi 62.95 (2) O12viii—Li02—Si04viii 95.5 (3)Ca03vi—Si01—Ca03 65.73 (2) O12viii—Li02—O01i 101.8 (5)Ca03vi—Si01—Ca04 141.45 (3) O12viii—Li02—O02 128.7 (5)Ca03—Si01—Ca04 75.92 (2) O12viii—Li02—O03 104.7 (5)Ca04—Si01—Ca01 61.667 (19) Ca02iv—O01—Ca01xii 124.67 (10)Ca04ii—Si01—Ca01 67.63 (2) Ca02iv—O01—Li02xii 84.4 (2)Ca04ii—Si01—Ca02vi 133.23 (3) Si04—O01—Ca01xii 93.91 (10)Ca04—Si01—Ca02vi 103.33 (3) Si04—O01—Ca02iv 125.28 (13)Ca04ii—Si01—Ca03vi 146.88 (3) Si04—O01—Li02xii 135.9 (2)Ca04ii—Si01—Ca03 144.49 (3) Li02xii—O01—Ca01xii 92.6 (2)Ca04ii—Si01—Ca04 69.62 (2) Ca03—O02—Ca02vi 105.93 (9)Li01—Si01—Ca01 136.84 (13) Si04viii—O02—Ca02vi 124.29 (12)Li01—Si01—Ca02vi 152.67 (13) Si04viii—O02—Ca03 127.96 (12)Li01—Si01—Ca03 109.05 (14) Si04viii—O02—Li02 102.2 (3)Li01—Si01—Ca03vi 89.75 (13) Li02—O02—Ca02vi 89.1 (3)Li01—Si01—Ca04 99.36 (14) Li02—O02—Ca03 90.4 (3)Li01—Si01—Ca04ii 69.42 (13) Ca03—O03—Ca04 129.83 (10)O04vi—Si01—Ca01 97.11 (9) Ca03—O03—Li02 84.7 (2)O04vi—Si01—Ca02vi 30.42 (8) Si04—O03—Ca03 124.76 (13)O04vi—Si01—Ca03vi 40.90 (8) Si04—O03—Ca04 93.22 (10)O04vi—Si01—Ca03 42.00 (8) Si04—O03—Li02 130.8 (2)O04vi—Si01—Ca04ii 163.65 (9) Li02—O03—Ca04 94.0 (2)O04vi—Si01—Ca04 109.15 (9) Ca02—O04—Ca03vi 98.39 (8)O04vi—Si01—Li01 126.05 (15) Ca03—O04—Ca02 99.62 (8)O04vi—Si01—O07 117.06 (13) Ca03—O04—Ca03vi 98.21 (8)O04vi—Si01—O10vi 114.28 (12) Si01vi—O04—Ca02 129.92 (12)O04vi—Si01—O13 109.35 (12) Si01vi—O04—Ca03vi 112.33 (11)O07—Si01—Ca01 28.87 (8) Si01vi—O04—Ca03 113.20 (11)O07—Si01—Ca02vi 93.68 (9) Ca02—O05—Ca02iv 99.92 (8)O07—Si01—Ca03 103.58 (9) Ca02iv—O05—Ca03 93.05 (8)O07—Si01—Ca03vi 156.61 (9) Ca02—O05—Ca03 98.70 (8)O07—Si01—Ca04ii 51.55 (9) Si02—O05—Ca02iv 131.00 (12)O07—Si01—Ca04 37.85 (8) Si02—O05—Ca02 115.35 (12)O07—Si01—Li01 113.62 (16) Si02—O05—Ca03 112.67 (11)O07—Si01—O10vi 108.35 (13) Ca01xii—O06—Ca01ii 104.22 (8)O07—Si01—O13 106.96 (12) Ca01xii—O06—Ca04 93.82 (8)O10vi—Si01—Ca01 101.62 (9) Ca01ii—O06—Ca04 101.53 (8)O10vi—Si01—Ca02vi 108.27 (9) Si02—O06—Ca01ii 105.96 (11)O10vi—Si01—Ca03 147.46 (10) Si02—O06—Ca01xii 132.66 (12)O10vi—Si01—Ca03vi 82.24 (9) Si02—O06—Ca04 114.50 (12)O10vi—Si01—Ca04ii 65.59 (9) Ca01—O07—Ca04ii 103.04 (8)O10vi—Si01—Ca04 135.18 (9) Ca01—O07—Ca04 99.76 (9)O10vi—Si01—Li01 63.27 (17) Ca04—O07—Ca04ii 101.16 (8)O13—Si01—Ca01 135.58 (9) Si01—O07—Ca01 131.79 (13)O13—Si01—Ca02vi 138.35 (9) Si01—O07—Ca04 117.96 (12)O13—Si01—Ca03vi 91.30 (9) Si01—O07—Ca04ii 98.11 (11)supporting informationsup-10publCIFO13—Si01—Ca03 77.01 (8) Ca04—O08—Ca01xii 98.34 (8)O13—Si01—Ca04ii 86.42 (9) Si04—O08—Ca01xii 93.38 (10)O13—Si01—Ca04 75.95 (9) Si04—O08—Ca04 95.17 (10)O13—Si01—Li01 36.01 (17) Si04—O08—Li01xi 126.9 (3)O13—Si01—O10vi 99.12 (12) Li01xi—O08—Ca01xii 115.3 (3)Ca01ii—Si02—Ca01xii 66.07 (2) Li01xi—O08—Ca04 121.2 (3)Ca01ii—Si02—Ca02iv 132.01 (3) Si02iv—O09—Ca01xv 79.90 (9)Ca01ii—Si02—Ca02 149.11 (3) Si02iv—O09—Si03 133.18 (15)Ca01ii—Si02—Ca03 144.16 (3) Si02iv—O09—Li01iv 89.6 (2)Ca01ii—Si02—Ca04 68.75 (2) Si03—O09—Ca01xv 125.13 (12)Ca02iv—Si02—Ca01xii 68.51 (2) Si03—O09—Li01iv 130.3 (2)Ca02—Si02—Ca01xii 129.13 (3) Li01iv—O09—Ca01xv 79.03 (18)Ca02—Si02—Ca02iv 62.42 (2) Si01vi—O10—Ca04xvi 83.09 (10)Ca02—Si02—Ca03 65.37 (2) Si01vi—O10—Si03 137.01 (16)Ca02—Si02—Ca04 141.11 (3) Si03—O10—Ca04xvi 131.24 (12)Ca03—Si02—Ca01xii 100.92 (3) Ca04—O11—Ca01 95.75 (8)Ca03—Si02—Ca02iv 59.700 (19) Si03viii—O11—Ca01 121.53 (12)Ca03—Si02—Ca04 75.86 (2) Si03viii—O11—Ca04 124.80 (12)Ca04—Si02—Ca01xii 59.853 (19) Si03viii—O11—Li01ii 106.4 (2)Ca04—Si02—Ca02iv 100.83 (2) Li01ii—O11—Ca01 100.4 (2)Li01—Si02—Ca01ii 69.51 (15) Li01ii—O11—Ca04 104.6 (3)Li01—Si02—Ca01xii 135.58 (15) Ca03—O12—Ca02iv 94.20 (8)Li01—Si02—Ca02iv 152.34 (14) Si03—O12—Ca02iv 121.51 (12)Li01—Si02—Ca02 90.40 (14) Si03—O12—Ca03 123.53 (12)Li01—Si02—Ca03 115.55 (17) Si03—O12—Li02viii 109.7 (3)Li01—Si02—Ca04 104.13 (16) Li02viii—O12—Ca02iv 102.1 (3)O05—Si02—Ca01xii 96.78 (9) Li02viii—O12—Ca03 102.4 (3)O05—Si02—Ca01ii 161.63 (9) Si01—O13—Si02 143.90 (16)O05—Si02—Ca02 39.41 (8) Si01—O13—Li01 114.6 (3)O05—Si02—Ca02iv 29.63 (8) Si02—O13—Li01 101.3 (3)O05—Si02—Ca03 41.69 (8)Symmetry codes: (i) x+1, y, z; (ii) −x+1, −y+1, −z; (iii) x+1, y, z−1; (iv) −x, −y+1, −z+1; (v) x, y+1, z; (vi) −x+1, −y+1, −z+1; (vii) x−1, y+1, z; (viii) −x+1, −y, −z+1; (ix) x, y, z−1; (x) x, y−1, z+1; (xi) x, y−1, z; (xii) x−1, y, z; (xiii) x, y+1, z−1; (xiv) x+1, y−1, z; (xv) x−1, y, z+1; (xvi) x, y, z+1.