| Identification code | Li7Si2S7I_330K |
| Empirical formula | ILi7S7Si2 |
| Formula weight | 456.08 |
| Temperature/K | 330.0 |
| Crystal system | monoclinic |
| Space group | P21/n |
| a/Å | 14.9844(4) |
| b/Å | 6.05530(10) |
| c/Å | 15.1935(4) |
| α/° | 90 |
| β/° | 105.724(3) |
| γ/° | 90 |
| Volume/Å3 | 1326.99(6) |
| Z | 4 |
| ρcalcg/cm3 | 2.283 |
| μ/mm‑1 | 3.367 |
| F(000) | 856.0 |
| Crystal size/mm3 | 0.03 × 0.02 × 0.02 |
| Radiation | synchrotron (λ = 0.6889) |
| 2Θ range for data collection/° | 3.282 to 51.006 |
| Index ranges | -18 ≤ h ≤ 18, -7 ≤ k ≤ 7, -18 ≤ l ≤ 18 |
| Reflections collected | 16716 |
| Independent reflections | 2718 [Rint = 0.0477, Rsigma = 0.0232] |
| Data/restraints/parameters | 2718/71/236 |
| Goodness-of-fit on F2 | 1.059 |
| Final R indexes [I>=2σ (I)] | R1 = 0.0359, wR2 = 0.1083 |
| Final R indexes [all data] | R1 = 0.0373, wR2 = 0.1096 |
| Largest diff. peak/hole / e Å-3 | 1.67/-0.64 |
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| Si1 | 5847.2(6) | 3496.7(16) | 3913.2(6) | 21.9(2) |
| Si2 | 5801.8(6) | 3555.6(16) | 1506.7(6) | 21.3(2) |
| Li1 | 4962(6) | 9278(17) | 2473(6) | 55(2) |
| Li2 | 6892(6) | 7654(19) | 3047(6) | 63(4) |
| Li3 | 3452(10) | 2761(19) | 2142(8) | 63(4) |
| Li4 | 4703(19) | 8790(50) | 4600(20) | 54(6) |
| Li5 | 6670(20) | 8080(70) | 5338(19) | 60(8) |
| Li6 | 3403(18) | 3530(60) | 4500(20) | 46(8) |
| Li7 | 5927(12) | 3890(30) | 6192(11) | 46(6) |
| Li8 | 4854(16) | -800(40) | 229(14) | 75(8) |
| Li9 | 6826(15) | 8090(50) | 559(17) | 52(6) |
| Li10 | 5854(11) | 3690(40) | -773(11) | 49(6) |
| Li11 | 3253(14) | 3270(60) | -366(19) | 72(9) |
| Li12 | 5000 | 10000 | 5000 | 53(9) |
| Li13 | 7030(30) | 8180(90) | 5090(30) | 64(9) |
| Li14 | 4390(80) | -2100(200) | 900(80) | 60(30) |
| Li15 | 4280(40) | 7780(120) | 3980(50) | 63(8) |
| I1 | 3122.6(2) | 7431.4(4) | 1964.4(2) | 31.26(14) |
| S1 | 4523.2(7) | 2071.5(18) | 3662.2(8) | 28.9(2) |
| S2 | 6779.8(8) | 2429.1(16) | 5138.0(8) | 30.5(3) |
| S3 | 5743.6(7) | 6945.7(17) | 3887.3(7) | 30.5(2) |
| S4 | 6511.4(7) | 2313.3(15) | 2876.0(7) | 23.8(2) |
| S5 | 4460.3(7) | 2195.8(17) | 1101.3(7) | 26.9(2) |
| S6 | 6658.5(8) | 2367.3(16) | 720.6(8) | 29.3(3) |
| S7 | 5818.6(7) | 7015.9(16) | 1513.5(7) | 28.1(2) |
| Atom | U11 | U22 | U33 | U23 | U13 | U12 |
|---|---|---|---|---|---|---|
| Si1 | 21.7(5) | 22.3(5) | 21.7(5) | -0.6(4) | 5.8(4) | -0.8(4) |
| Si2 | 21.8(5) | 20.7(5) | 21.8(5) | -0.2(4) | 6.7(4) | -0.8(3) |
| Li1 | 46(4) | 61(5) | 57(5) | 3(4) | 15(4) | 1(4) |
| Li2 | 34(6) | 109(12) | 41(6) | 5(4) | 1(5) | -12(4) |
| Li3 | 69(8) | 71(7) | 54(7) | 12(5) | 28(6) | 18(5) |
| Li4 | 50(8) | 53(11) | 65(12) | 21(9) | 24(8) | 5(7) |
| Li5 | 49(8) | 90(20) | 40(10) | -12(12) | 13(6) | 2(11) |
| Li6 | 32(12) | 53(13) | 43(15) | -25(12) | -9(10) | 2(9) |
| Li7 | 45(9) | 50(12) | 44(9) | 7(8) | 16(7) | 19(8) |
| Li8 | 72(12) | 79(14) | 59(12) | -31(10) | -5(9) | 29(11) |
| Li9 | 46(11) | 59(14) | 56(12) | -2(11) | 23(9) | -11(11) |
| Li10 | 33(8) | 80(16) | 32(8) | 15(8) | 7(6) | 13(9) |
| Li11 | 33(9) | 110(20) | 74(16) | 39(16) | 15(10) | 1(12) |
| Li12 | 54(11) | 54(12) | 60(15) | 22(12) | 30(10) | -2(8) |
| Li13 | 50(8) | 100(20) | 42(11) | -7(14) | 14(8) | 4(11) |
| Li14 | 60(40) | 60(40) | 60(40) | -10(20) | 20(20) | 6(19) |
| Li15 | 43(10) | 68(14) | 80(14) | 4(9) | 19(8) | 14(9) |
| I1 | 25.6(2) | 33.9(2) | 34.1(2) | -1.22(9) | 7.84(14) | -1.39(9) |
| S1 | 22.1(5) | 31.6(5) | 33.8(5) | 0.4(4) | 8.6(4) | -4.5(4) |
| S2 | 25.7(5) | 41.1(6) | 23.3(5) | 1.4(3) | 4.3(4) | 5.4(3) |
| S3 | 35.7(5) | 22.7(5) | 34.2(5) | -3.0(4) | 11.1(4) | -0.4(4) |
| S4 | 21.9(5) | 27.0(5) | 22.2(5) | 0.4(3) | 5.6(4) | 3.5(3) |
| S5 | 20.9(5) | 30.6(5) | 27.6(5) | -2.5(4) | 3.9(4) | -4.1(3) |
| S6 | 28.3(5) | 35.7(6) | 25.7(5) | -1.4(3) | 10.4(4) | 3.6(3) |
| S7 | 32.4(5) | 22.1(4) | 30.5(5) | 1.4(4) | 9.5(4) | -1.3(4) |
| Atom | Atom | Length/Å | Atom | Atom | Length/Å | |
|---|---|---|---|---|---|---|
| Si1 | S1 | 2.1015(14) | Li6 | S32 | 2.46(3) | |
| Si1 | S2 | 2.1035(15) | Li7 | Li126 | 3.07(2) | |
| Si1 | S3 | 2.0938(14) | Li7 | Li152 | 1.07(7) | |
| Si1 | S4 | 2.1994(14) | Li7 | I12 | 2.891(16) | |
| Si2 | S4 | 2.1967(13) | Li7 | S12 | 2.560(19) | |
| Si2 | S5 | 2.1040(14) | Li7 | S2 | 2.468(16) | |
| Si2 | S6 | 2.1032(14) | Li7 | S32 | 2.525(18) | |
| Si2 | S7 | 2.0955(14) | Li8 | Li89 | 1.33(6) | |
| Li1 | Li2 | 2.954(13) | Li8 | Li96 | 2.94(3) | |
| Li1 | Li31 | 3.034(15) | Li8 | Li93 | 2.97(3) | |
| Li1 | Li72 | 3.32(2) | Li8 | Li109 | 2.32(4) | |
| Li1 | Li103 | 3.11(2) | Li8 | Li119 | 3.16(3) | |
| Li1 | Li141 | 2.45(12) | Li8 | Li14 | 1.57(13) | |
| Li1 | Li15 | 2.90(7) | Li8 | Li149 | 2.87(14) | |
| Li1 | I1 | 2.879(9) | Li8 | S5 | 2.41(2) | |
| Li1 | S11 | 2.684(10) | Li8 | S59 | 2.64(2) | |
| Li1 | S3 | 2.573(9) | Li8 | S69 | 2.52(2) | |
| Li1 | S41 | 2.894(9) | Li8 | S76 | 2.47(2) | |
| Li1 | S51 | 2.680(9) | Li9 | Li10 | 3.42(3) | |
| Li1 | S7 | 2.582(9) | Li9 | Li113 | 0.87(4) | |
| Li2 | S3 | 2.442(10) | Li9 | Li143 | 3.44(13) | |
| Li2 | S41 | 2.876(12) | Li9 | S24 | 2.62(2) | |
| Li2 | S64 | 2.460(9) | Li9 | S44 | 2.98(2) | |
| Li2 | S7 | 2.476(9) | Li9 | S53 | 2.73(2) | |
| Li3 | Li72 | 3.18(2) | Li9 | S61 | 2.62(3) | |
| Li3 | Li103 | 3.34(2) | Li9 | S7 | 2.45(2) | |
| Li3 | I15 | 3.031(13) | Li10 | Li113 | 2.63(4) | |
| Li3 | I16 | 3.265(12) | Li10 | Li1310 | 3.06(4) | |
| Li3 | I1 | 2.871(11) | Li10 | Li149 | 1.06(13) | |
| Li3 | S1 | 2.465(13) | Li10 | I13 | 2.756(17) | |
| Li3 | S5 | 2.489(12) | Li10 | S53 | 2.56(2) | |
| Li4 | Li47 | 1.96(7) | Li10 | S6 | 2.401(15) | |
| Li4 | Li5 | 2.89(4) | Li10 | S73 | 2.491(17) | |
| Li4 | Li57 | 2.82(4) | Li11 | Li1311 | 3.02(6) | |
| Li4 | Li72 | 2.09(4) | Li11 | S212 | 2.56(2) | |
| Li4 | Li12 | 0.98(3) | Li11 | S5 | 2.55(2) | |
| Li4 | Li15 | 1.16(8) | Li11 | S63 | 2.71(3) | |
| Li4 | Li157 | 3.09(9) | Li11 | S73 | 2.51(3) | |
| Li4 | S12 | 2.63(3) | Li12 | Li15 | 2.12(8) | |
| Li4 | S11 | 2.42(3) | Li12 | Li157 | 2.12(8) | |
| Li4 | S22 | 2.47(3) | Li12 | S12 | 2.3299(11) | |
| Li4 | S3 | 2.40(3) | Li12 | S11 | 2.3299(11) | |
| Li5 | Li62 | 1.02(5) | Li12 | S21 | 3.0028(12) | |
| Li5 | Li7 | 3.18(5) | Li12 | S22 | 3.0028(12) | |
| Li5 | Li12 | 2.68(3) | Li12 | S37 | 2.9224(10) | |
| Li5 | Li13 | 0.74(4) | Li12 | S3 | 2.9225(10) | |
| Li5 | Li157 | 3.19(8) | Li13 | I18 | 2.89(4) | |
| Li5 | I18 | 2.83(3) | Li13 | S21 | 2.60(5) | |
| Li5 | S12 | 2.64(3) | Li13 | S3 | 2.40(4) | |
| Li5 | S21 | 2.66(4) | Li13 | S64 | 2.63(4) | |
| Li5 | S3 | 2.37(3) | Li14 | I16 | 2.83(12) | |
| Li6 | Li72 | 2.26(4) | Li14 | S5 | 2.59(13) | |
| Li6 | Li126 | 3.14(3) | Li14 | S69 | 2.54(12) | |
| Li6 | Li132 | 1.45(6) | Li14 | S76 | 2.16(12) | |
| Li6 | Li15 | 3.09(8) | Li15 | I1 | 3.09(7) | |
| Li6 | I15 | 2.80(2) | Li15 | S11 | 2.69(7) | |
| Li6 | S1 | 2.52(3) | Li15 | S22 | 2.34(6) | |
| Li6 | S22 | 2.54(3) | Li15 | S3 | 2.30(6) |
| Atom | Atom | Atom | Angle/˚ | Atom | Atom | Atom | Angle/˚ | |
|---|---|---|---|---|---|---|---|---|
| S1 | Si1 | S2 | 113.74(6) | Li103 | Li11 | Li89 | 90.0(8) | |
| S1 | Si1 | S4 | 108.94(6) | Li103 | Li11 | Li1311 | 65.3(13) | |
| S2 | Si1 | S4 | 102.27(5) | Li103 | Li11 | S63 | 53.4(8) | |
| S3 | Si1 | S1 | 110.16(6) | Li1311 | Li11 | Si23 | 94.7(13) | |
| S3 | Si1 | S2 | 110.56(6) | Li1311 | Li11 | Li8 | 152.1(12) | |
| S3 | Si1 | S4 | 110.93(6) | Li1311 | Li11 | Li89 | 155.2(15) | |
| S5 | Si2 | S4 | 108.79(6) | S212 | Li11 | Si23 | 144.4(11) | |
| S6 | Si2 | S4 | 101.97(6) | S212 | Li11 | Li8 | 114.0(10) | |
| S6 | Si2 | S5 | 112.43(6) | S212 | Li11 | Li89 | 137.1(12) | |
| S7 | Si2 | S4 | 109.61(5) | S212 | Li11 | Li103 | 104.1(13) | |
| S7 | Si2 | S5 | 113.70(6) | S212 | Li11 | Li1311 | 54.8(10) | |
| S7 | Si2 | S6 | 109.66(6) | S212 | Li11 | S63 | 108.2(11) | |
| Li2 | Li1 | Li31 | 155.1(5) | S5 | Li11 | Si23 | 108.5(8) | |
| Li2 | Li1 | Li72 | 98.6(4) | S5 | Li11 | Li8 | 45.3(6) | |
| Li2 | Li1 | Li103 | 100.7(4) | S5 | Li11 | Li89 | 53.8(6) | |
| Li31 | Li1 | Li72 | 95.7(4) | S5 | Li11 | Li103 | 59.2(8) | |
| Li31 | Li1 | Li103 | 99.0(5) | S5 | Li11 | Li1311 | 108.0(14) | |
| Li103 | Li1 | Li72 | 92.3(6) | S5 | Li11 | S212 | 99.3(8) | |
| Li141 | Li1 | Li2 | 103(3) | S5 | Li11 | S63 | 111.2(13) | |
| Li141 | Li1 | Li31 | 91(3) | S63 | Li11 | Si23 | 41.0(4) | |
| Li141 | Li1 | Li72 | 108(3) | S63 | Li11 | Li8 | 133.9(9) | |
| Li141 | Li1 | Li103 | 17(3) | S63 | Li11 | Li89 | 112.6(9) | |
| Li141 | Li1 | Li15 | 124(4) | S63 | Li11 | Li1311 | 54.4(11) | |
| Li141 | Li1 | I1 | 64(3) | S73 | Li11 | Si23 | 41.3(3) | |
| Li141 | Li1 | S11 | 141(3) | S73 | Li11 | Li8 | 69.5(8) | |
| Li141 | Li1 | S3 | 126(3) | S73 | Li11 | Li89 | 50.1(6) | |
| Li141 | Li1 | S41 | 118(3) | S73 | Li11 | Li103 | 103.0(9) | |
| Li141 | Li1 | S51 | 60(3) | S73 | Li11 | Li1311 | 133.8(13) | |
| Li141 | Li1 | S7 | 51(3) | S73 | Li11 | S212 | 151.7(15) | |
| Li15 | Li1 | Li2 | 101.0(12) | S73 | Li11 | S5 | 101.2(8) | |
| Li15 | Li1 | Li31 | 86.6(12) | S73 | Li11 | S63 | 82.1(7) | |
| Li15 | Li1 | Li72 | 18.2(14) | Li4 | Li12 | Li47 | 179.997(11) | |
| Li15 | Li1 | Li103 | 109.3(16) | Li47 | Li12 | Li5 | 87.8(17) | |
| I1 | Li1 | Li2 | 137.7(4) | Li4 | Li12 | Li5 | 92.2(17) | |
| I1 | Li1 | Li31 | 67.0(3) | Li47 | Li12 | Li57 | 92.2(17) | |
| I1 | Li1 | Li72 | 55.0(3) | Li4 | Li12 | Li57 | 87.8(17) | |
| I1 | Li1 | Li103 | 54.6(3) | Li47 | Li12 | Li157 | 9(2) | |
| I1 | Li1 | Li15 | 64.7(14) | Li47 | Li12 | Li15 | 171(2) | |
| I1 | Li1 | S41 | 163.4(4) | Li4 | Li12 | Li15 | 9(2) | |
| S11 | Li1 | Li2 | 114.2(4) | Li4 | Li12 | Li157 | 171(2) | |
| S11 | Li1 | Li31 | 50.6(3) | Li4 | Li12 | S11 | 83.1(15) | |
| S11 | Li1 | Li72 | 75.0(4) | Li4 | Li12 | S12 | 96.9(15) | |
| S11 | Li1 | Li103 | 144.1(4) | Li47 | Li12 | S11 | 96.9(15) | |
| S11 | Li1 | Li15 | 57.4(14) | Li47 | Li12 | S12 | 83.1(15) | |
| S11 | Li1 | I1 | 92.0(3) | Li47 | Li12 | S22 | 131.0(15) | |
| S11 | Li1 | S41 | 77.6(3) | Li4 | Li12 | S22 | 49.0(15) | |
| S3 | Li1 | Li2 | 51.9(3) | Li47 | Li12 | S21 | 49.0(15) | |
| S3 | Li1 | Li31 | 132.1(4) | Li4 | Li12 | S21 | 131.0(15) | |
| S3 | Li1 | Li72 | 48.7(3) | Li47 | Li12 | S3 | 130.8(15) | |
| S3 | Li1 | Li103 | 111.3(5) | Li47 | Li12 | S37 | 49.2(15) | |
| S3 | Li1 | Li15 | 49.2(12) | Li4 | Li12 | S3 | 49.2(15) | |
| S3 | Li1 | I1 | 101.4(3) | Li4 | Li12 | S37 | 130.8(15) | |
| S3 | Li1 | S11 | 85.6(3) | Li57 | Li12 | Li5 | 180.0 | |
| S3 | Li1 | S41 | 90.8(3) | Li57 | Li12 | S21 | 124.5(9) | |
| S3 | Li1 | S51 | 168.4(4) | Li5 | Li12 | S21 | 55.5(9) | |
| S3 | Li1 | S7 | 89.8(3) | Li5 | Li12 | S22 | 124.5(9) | |
| S41 | Li1 | Li2 | 58.9(3) | Li57 | Li12 | S22 | 55.5(9) | |
| S41 | Li1 | Li31 | 96.5(4) | Li5 | Li12 | S37 | 130.2(6) | |
| S41 | Li1 | Li72 | 132.0(4) | Li5 | Li12 | S3 | 49.8(6) | |
| S41 | Li1 | Li103 | 130.9(4) | Li57 | Li12 | S3 | 130.2(6) | |
| S41 | Li1 | Li15 | 117.9(15) | Li57 | Li12 | S37 | 49.8(6) | |
| S51 | Li1 | Li2 | 119.7(4) | Li15 | Li12 | Li57 | 82.5(17) | |
| S51 | Li1 | Li31 | 51.2(3) | Li157 | Li12 | Li57 | 97.5(17) | |
| S51 | Li1 | Li72 | 141.4(4) | Li157 | Li12 | Li5 | 82.5(17) | |
| S51 | Li1 | Li103 | 76.8(4) | Li15 | Li12 | Li5 | 97.5(17) | |
| S51 | Li1 | Li15 | 137.5(12) | Li157 | Li12 | Li15 | 180.0 | |
| S51 | Li1 | I1 | 90.1(3) | Li157 | Li12 | S12 | 74.2(19) | |
| S51 | Li1 | S11 | 92.3(3) | Li15 | Li12 | S11 | 74.2(19) | |
| S51 | Li1 | S41 | 77.6(2) | Li157 | Li12 | S11 | 105.8(19) | |
| S7 | Li1 | Li2 | 52.6(3) | Li15 | Li12 | S12 | 105.8(19) | |
| S7 | Li1 | Li31 | 137.6(4) | Li15 | Li12 | S21 | 129.1(17) | |
| S7 | Li1 | Li72 | 112.4(5) | Li157 | Li12 | S22 | 129.1(17) | |
| S7 | Li1 | Li103 | 50.8(3) | Li157 | Li12 | S21 | 50.9(17) | |
| S7 | Li1 | Li15 | 128.1(14) | Li15 | Li12 | S22 | 50.9(17) | |
| S7 | Li1 | I1 | 103.2(3) | Li157 | Li12 | S37 | 51.2(15) | |
| S7 | Li1 | S11 | 164.7(4) | Li15 | Li12 | S3 | 51.2(15) | |
| S7 | Li1 | S41 | 87.9(3) | Li15 | Li12 | S37 | 128.8(15) | |
| S7 | Li1 | S51 | 89.3(3) | Li157 | Li12 | S3 | 128.8(15) | |
| S3 | Li2 | S41 | 94.0(4) | S12 | Li12 | Li57 | 116.8(7) | |
| S3 | Li2 | S64 | 101.0(3) | S11 | Li12 | Li57 | 63.2(7) | |
| S3 | Li2 | S7 | 95.4(3) | S12 | Li12 | Li5 | 63.2(7) | |
| S64 | Li2 | S41 | 104.5(4) | S11 | Li12 | Li5 | 116.8(7) | |
| S64 | Li2 | S7 | 156.9(5) | S12 | Li12 | S11 | 180.00(3) | |
| S7 | Li2 | S41 | 90.3(3) | S12 | Li12 | S21 | 98.41(3) | |
| Li15 | Li3 | Li72 | 105.5(5) | S12 | Li12 | S22 | 81.59(3) | |
| Li15 | Li3 | Li103 | 101.9(5) | S11 | Li12 | S22 | 98.41(3) | |
| Li15 | Li3 | I15 | 54.2(2) | S11 | Li12 | S21 | 81.59(3) | |
| Li72 | Li3 | Li103 | 90.8(6) | S11 | Li12 | S37 | 95.11(3) | |
| Li72 | Li3 | I15 | 134.5(5) | S11 | Li12 | S3 | 84.89(3) | |
| I1 | Li3 | Li15 | 143.3(6) | S12 | Li12 | S37 | 84.89(3) | |
| I16 | Li3 | Li15 | 121.1(4) | S12 | Li12 | S3 | 95.11(3) | |
| I1 | Li3 | Li72 | 56.8(4) | S22 | Li12 | S21 | 180.00(2) | |
| I16 | Li3 | Li72 | 77.3(4) | S3 | Li12 | S21 | 83.09(3) | |
| I16 | Li3 | Li103 | 137.0(5) | S37 | Li12 | S21 | 96.91(3) | |
| I1 | Li3 | Li103 | 52.0(4) | S37 | Li12 | S22 | 83.09(3) | |
| I15 | Li3 | Li103 | 130.4(5) | S3 | Li12 | S22 | 96.91(3) | |
| I1 | Li3 | I16 | 88.4(3) | S37 | Li12 | S3 | 180.0 | |
| I16 | Li3 | I15 | 81.6(3) | Li2 | Li13 | Li4 | 90.1(11) | |
| I1 | Li3 | I15 | 161.4(6) | Li2 | Li13 | Li47 | 110.9(13) | |
| S1 | Li3 | Li15 | 57.3(3) | Li2 | Li13 | Li12 | 100.7(11) | |
| S1 | Li3 | Li72 | 52.1(4) | Li47 | Li13 | Li4 | 33.9(12) | |
| S1 | Li3 | Li103 | 117.3(6) | Li5 | Li13 | Li2 | 130(4) | |
| S1 | Li3 | I16 | 87.6(3) | Li5 | Li13 | Li4 | 43(4) | |
| S1 | Li3 | I1 | 107.9(5) | Li5 | Li13 | Li47 | 43(5) | |
| S1 | Li3 | I15 | 87.4(3) | Li5 | Li13 | Li62 | 41(5) | |
| S1 | Li3 | S5 | 102.6(5) | Li5 | Li13 | Li104 | 132(4) | |
| S5 | Li3 | Li15 | 57.0(3) | Li5 | Li13 | Li118 | 138(6) | |
| S5 | Li3 | Li72 | 119.8(6) | Li5 | Li13 | Li12 | 40(4) | |
| S5 | Li3 | Li103 | 49.4(4) | Li5 | Li13 | I18 | 78(4) | |
| S5 | Li3 | I1 | 101.2(4) | Li5 | Li13 | S21 | 86(6) | |
| S5 | Li3 | I16 | 162.9(6) | Li5 | Li13 | S3 | 79(4) | |
| S5 | Li3 | I15 | 85.2(3) | Li5 | Li13 | S64 | 164(7) | |
| Si12 | Li4 | Li157 | 88.2(16) | Li62 | Li13 | Li2 | 116(2) | |
| Li47 | Li4 | Si12 | 92.8(17) | Li62 | Li13 | Li4 | 67(2) | |
| Li47 | Li4 | Li5 | 68.0(16) | Li62 | Li13 | Li47 | 83(2) | |
| Li47 | Li4 | Li57 | 71.9(17) | Li62 | Li13 | Li104 | 118(2) | |
| Li47 | Li4 | Li72 | 177(2) | Li62 | Li13 | Li118 | 168(2) | |
| Li47 | Li4 | Li157 | 6.2(16) | Li62 | Li13 | Li12 | 74(2) | |
| Li47 | Li4 | S11 | 73.2(15) | Li62 | Li13 | I18 | 71.9(18) | |
| Li47 | Li4 | S12 | 61.5(15) | Li62 | Li13 | S21 | 127(3) | |
| Li47 | Li4 | S22 | 113.6(19) | Li62 | Li13 | S3 | 75(2) | |
| Li47 | Li4 | S3 | 112.8(18) | Li62 | Li13 | S64 | 123(3) | |
| Li57 | Li4 | Si12 | 86.1(10) | Li104 | Li13 | Li2 | 97.7(13) | |
| Li5 | Li4 | Si12 | 95.7(11) | Li104 | Li13 | Li47 | 132.5(17) | |
| Li57 | Li4 | Li5 | 139.9(14) | Li104 | Li13 | Li4 | 166.3(18) | |
| Li5 | Li4 | Li157 | 64.4(14) | Li104 | Li13 | Li12 | 149.6(17) | |
| Li57 | Li4 | Li157 | 75.6(14) | Li118 | Li13 | Li2 | 73.8(12) | |
| Li72 | Li4 | Si12 | 84.2(10) | Li118 | Li13 | Li47 | 100.7(16) | |
| Li72 | Li4 | Li5 | 111.2(14) | Li118 | Li13 | Li4 | 121.5(17) | |
| Li72 | Li4 | Li57 | 108.8(13) | Li118 | Li13 | Li104 | 51.2(10) | |
| Li72 | Li4 | Li157 | 170.9(18) | Li118 | Li13 | Li12 | 111.9(17) | |
| Li72 | Li4 | S11 | 109.8(13) | Li12 | Li13 | Li4 | 16.8(6) | |
| Li72 | Li4 | S12 | 115.5(12) | Li12 | Li13 | Li47 | 17.1(6) | |
| Li72 | Li4 | S22 | 64.8(9) | I18 | Li13 | Li2 | 147.8(16) | |
| Li72 | Li4 | S3 | 68.0(10) | I18 | Li13 | Li47 | 100.9(13) | |
| Li12 | Li4 | Si12 | 92.8(17) | I18 | Li13 | Li4 | 120.3(15) | |
| Li12 | Li4 | Li47 | 0.001(5) | I18 | Li13 | Li104 | 55.0(8) | |
| Li12 | Li4 | Li5 | 68.0(16) | I18 | Li13 | Li118 | 96.0(13) | |
| Li12 | Li4 | Li57 | 71.9(17) | I18 | Li13 | Li12 | 111.4(13) | |
| Li12 | Li4 | Li72 | 177(2) | S21 | Li13 | Li2 | 99.1(15) | |
| Li12 | Li4 | Li15 | 163(4) | S21 | Li13 | Li47 | 47.6(9) | |
| Li12 | Li4 | Li157 | 6.2(16) | S21 | Li13 | Li4 | 75.4(12) | |
| Li12 | Li4 | S12 | 61.5(15) | S21 | Li13 | Li104 | 92.1(15) | |
| Li12 | Li4 | S11 | 73.2(15) | S21 | Li13 | Li118 | 53.5(11) | |
| Li12 | Li4 | S22 | 113.6(19) | S21 | Li13 | Li12 | 61.2(9) | |
| Li12 | Li4 | S3 | 112.8(18) | S21 | Li13 | I18 | 98.6(13) | |
| Li15 | Li4 | Si12 | 100(4) | S21 | Li13 | S64 | 109.3(18) | |
| Li15 | Li4 | Li47 | 163(4) | S3 | Li13 | Li2 | 51.2(7) | |
| Li15 | Li4 | Li5 | 121(3) | S3 | Li13 | Li47 | 77.2(12) | |
| Li15 | Li4 | Li57 | 98(3) | S3 | Li13 | Li4 | 45.1(9) | |
| Li15 | Li4 | Li72 | 20(3) | S3 | Li13 | Li104 | 146.5(18) | |
| Li15 | Li4 | Li157 | 170(3) | S3 | Li13 | Li118 | 117.3(17) | |
| Li15 | Li4 | S12 | 135(4) | S3 | Li13 | Li12 | 60.8(9) | |
| Li15 | Li4 | S11 | 90(4) | S3 | Li13 | I18 | 147(2) | |
| Li15 | Li4 | S22 | 70(3) | S3 | Li13 | S21 | 103.6(16) | |
| Li15 | Li4 | S3 | 71(3) | S3 | Li13 | S64 | 97.5(14) | |
| S11 | Li4 | Si12 | 145.8(12) | S64 | Li13 | Li2 | 50.3(7) | |
| S12 | Li4 | Si12 | 43.7(4) | S64 | Li13 | Li4 | 140.3(15) | |
| S12 | Li4 | Li5 | 57.0(8) | S64 | Li13 | Li47 | 151.9(19) | |
| S11 | Li4 | Li57 | 60.1(10) | S64 | Li13 | Li104 | 49.1(8) | |
| S11 | Li4 | Li5 | 106.9(12) | S64 | Li13 | Li118 | 56.7(10) | |
| S12 | Li4 | Li57 | 103.1(12) | S64 | Li13 | Li12 | 149.6(16) | |
| S12 | Li4 | Li157 | 55.4(15) | S64 | Li13 | I18 | 98.3(13) | |
| S11 | Li4 | Li157 | 79.3(15) | Li15 | Li14 | Li89 | 107(5) | |
| S11 | Li4 | S12 | 134.7(14) | Li15 | Li14 | Li93 | 113(4) | |
| S11 | Li4 | S22 | 112.3(10) | Li15 | Li14 | Li1312 | 117(4) | |
| S22 | Li4 | Si12 | 44.5(4) | Li15 | Li14 | I15 | 66(3) | |
| S22 | Li4 | Li57 | 59.9(10) | Li15 | Li14 | S5 | 64(3) | |
| S22 | Li4 | Li5 | 139.4(13) | Li15 | Li14 | S69 | 158(5) | |
| S22 | Li4 | Li157 | 112.6(16) | Li8 | Li14 | Li15 | 112(7) | |
| S22 | Li4 | S12 | 87.1(8) | Li8 | Li14 | Li89 | 8(2) | |
| S3 | Li4 | Si12 | 118.5(10) | Li8 | Li14 | Li93 | 60(4) | |
| S3 | Li4 | Li57 | 153.8(13) | Li89 | Li14 | Li93 | 55(2) | |
| S3 | Li4 | Li5 | 52.2(8) | Li89 | Li14 | Li1312 | 116(4) | |
| S3 | Li4 | Li157 | 111.7(14) | Li8 | Li14 | Li1312 | 117(6) | |
| S3 | Li4 | S12 | 101.3(9) | Li8 | Li14 | I15 | 155(7) | |
| S3 | Li4 | S11 | 95.7(9) | Li8 | Li14 | S5 | 66(5) | |
| S3 | Li4 | S22 | 130.9(14) | Li8 | Li14 | S69 | 71(4) | |
| Li47 | Li5 | Li4 | 40.1(14) | Li8 | Li14 | S75 | 81(5) | |
| Li4 | Li5 | Li7 | 81.0(11) | Li93 | Li14 | Li1312 | 66(2) | |
| Li47 | Li5 | Li7 | 100.5(12) | Li109 | Li14 | Li15 | 120(9) | |
| Li47 | Li5 | Li157 | 21.1(13) | Li109 | Li14 | Li89 | 129(8) | |
| Li4 | Li5 | Li157 | 60.8(17) | Li109 | Li14 | Li8 | 122(9) | |
| Li47 | Li5 | I18 | 116.1(12) | Li109 | Li14 | Li93 | 116(8) | |
| Li62 | Li5 | Li4 | 94(2) | Li109 | Li14 | Li1312 | 59(6) | |
| Li62 | Li5 | Li47 | 120(3) | Li109 | Li14 | I15 | 75(7) | |
| Li62 | Li5 | Li7 | 21(2) | Li109 | Li14 | S5 | 162(9) | |
| Li62 | Li5 | Li12 | 108(3) | Li109 | Li14 | S69 | 70(6) | |
| Li62 | Li5 | Li157 | 126(3) | Li109 | Li14 | S75 | 95(8) | |
| Li62 | Li5 | I18 | 78(2) | I15 | Li14 | Li89 | 147(5) | |
| Li62 | Li5 | S12 | 72(2) | I15 | Li14 | Li93 | 97(3) | |
| Li62 | Li5 | S21 | 171(3) | I15 | Li14 | Li1312 | 53(2) | |
| Li62 | Li5 | S3 | 83(2) | S5 | Li14 | Li89 | 58(3) | |
| Li7 | Li5 | Li157 | 105.0(15) | S5 | Li14 | Li93 | 52(2) | |
| Li12 | Li5 | Li47 | 20.3(7) | S5 | Li14 | Li1312 | 104(4) | |
| Li12 | Li5 | Li4 | 19.8(7) | S5 | Li14 | I15 | 93(4) | |
| Li12 | Li5 | Li7 | 90.7(10) | S69 | Li14 | Li89 | 73(3) | |
| Li12 | Li5 | Li157 | 41.1(14) | S69 | Li14 | Li93 | 49(2) | |
| Li12 | Li5 | I18 | 132.2(12) | S69 | Li14 | Li1312 | 49(2) | |
| Li13 | Li5 | Li4 | 127(4) | S69 | Li14 | I15 | 102(4) | |
| Li13 | Li5 | Li47 | 127(6) | S69 | Li14 | S5 | 101(4) | |
| Li13 | Li5 | Li62 | 110(7) | S75 | Li14 | Li15 | 68(3) | |
| Li13 | Li5 | Li7 | 131(6) | S75 | Li14 | Li89 | 85(4) | |
| Li13 | Li5 | Li12 | 130(5) | S75 | Li14 | Li93 | 139(6) | |
| Li13 | Li5 | Li157 | 123(6) | S75 | Li14 | Li1312 | 153(6) | |
| Li13 | Li5 | I18 | 87(4) | S75 | Li14 | I15 | 118(5) | |
| Li13 | Li5 | S12 | 175(5) | S75 | Li14 | S5 | 102(5) | |
| Li13 | Li5 | S21 | 77(6) | S75 | Li14 | S69 | 133(5) | |
| Li13 | Li5 | S3 | 83(4) | Li1 | Li15 | Li47 | 97(2) | |
| I18 | Li5 | Li4 | 144.8(13) | Li1 | Li15 | Li57 | 107(2) | |
| I18 | Li5 | Li7 | 80.1(10) | Li1 | Li15 | Li6 | 137(3) | |
| I18 | Li5 | Li157 | 96.2(15) | Li1 | Li15 | I1 | 57.4(14) | |
| S12 | Li5 | Li47 | 52.4(8) | Li4 | Li15 | Li1 | 104(4) | |
| S12 | Li5 | Li4 | 56.7(8) | Li4 | Li15 | Li47 | 10(3) | |
| S12 | Li5 | Li7 | 51.1(7) | Li47 | Li15 | Li57 | 54.8(14) | |
| S12 | Li5 | Li12 | 51.9(6) | Li4 | Li15 | Li57 | 61(3) | |
| S12 | Li5 | Li157 | 53.9(14) | Li4 | Li15 | Li6 | 114(4) | |
| S12 | Li5 | I18 | 88.5(9) | Li4 | Li15 | Li12 | 8(2) | |
| S12 | Li5 | S21 | 100.0(12) | Li47 | Li15 | I1 | 141(2) | |
| S21 | Li5 | Li4 | 84.1(12) | Li4 | Li15 | I1 | 151(5) | |
| S21 | Li5 | Li47 | 53.6(9) | Li4 | Li15 | S11 | 64(3) | |
| S21 | Li5 | Li7 | 151.0(12) | Li4 | Li15 | S22 | 83(4) | |
| S21 | Li5 | Li12 | 68.4(9) | Li4 | Li15 | S3 | 81(3) | |
| S21 | Li5 | Li157 | 46.1(14) | Li6 | Li15 | Li47 | 123(2) | |
| S21 | Li5 | I18 | 98.7(11) | Li6 | Li15 | Li57 | 108(2) | |
| S3 | Li5 | Li47 | 88.7(12) | Li6 | Li15 | I1 | 92(2) | |
| S3 | Li5 | Li4 | 53.3(9) | Li72 | Li15 | Li1 | 104(5) | |
| S3 | Li5 | Li7 | 88.1(12) | Li72 | Li15 | Li4 | 139(7) | |
| S3 | Li5 | Li12 | 70.5(8) | Li72 | Li15 | Li47 | 150(5) | |
| S3 | Li5 | Li157 | 109.3(17) | Li72 | Li15 | Li57 | 134(4) | |
| S3 | Li5 | I18 | 154.0(17) | Li72 | Li15 | Li6 | 33(3) | |
| S3 | Li5 | S12 | 102.0(12) | Li72 | Li15 | Li12 | 147(5) | |
| S3 | Li5 | S21 | 102.7(13) | Li72 | Li15 | I1 | 69(4) | |
| Si12 | Li6 | Li42 | 79.5(8) | Li72 | Li15 | S11 | 156(6) | |
| Si12 | Li6 | Li45 | 112.5(9) | Li72 | Li15 | S22 | 84(4) | |
| Si12 | Li6 | Li125 | 96.9(7) | Li72 | Li15 | S3 | 90(4) | |
| Si12 | Li6 | Li15 | 67.0(16) | Li12 | Li15 | Li1 | 99(3) | |
| Li42 | Li6 | Li45 | 34.2(12) | Li12 | Li15 | Li47 | 2.8(8) | |
| Li42 | Li6 | Li125 | 17.9(6) | Li12 | Li15 | Li57 | 56.4(16) | |
| Li52 | Li6 | Si12 | 115(3) | Li12 | Li15 | Li6 | 121(3) | |
| Li52 | Li6 | Li45 | 45(2) | Li12 | Li15 | I1 | 144(3) | |
| Li52 | Li6 | Li42 | 67(2) | Li12 | Li15 | S11 | 56.5(17) | |
| Li52 | Li6 | Li72 | 150(3) | Li12 | Li15 | S22 | 85(3) | |
| Li52 | Li6 | Li125 | 54(2) | Li12 | Li15 | S3 | 83(2) | |
| Li52 | Li6 | Li132 | 29(3) | I1 | Li15 | Li57 | 101.3(17) | |
| Li52 | Li6 | Li15 | 160(3) | S11 | Li15 | Li1 | 57.3(14) | |
| Li52 | Li6 | I16 | 81(2) | S11 | Li15 | Li47 | 53.7(15) | |
| Li52 | Li6 | S1 | 85(2) | S11 | Li15 | Li57 | 52.6(14) | |
| Li52 | Li6 | S22 | 147(3) | S11 | Li15 | Li6 | 160(2) | |
| Li52 | Li6 | S32 | 73(2) | S11 | Li15 | I1 | 87.4(19) | |
| Li72 | Li6 | Si12 | 80.8(10) | S22 | Li15 | Li1 | 155(3) | |
| Li72 | Li6 | Li45 | 106.2(11) | S22 | Li15 | Li47 | 85(2) | |
| Li72 | Li6 | Li42 | 92.8(11) | S22 | Li15 | Li57 | 54.9(15) | |
| Li72 | Li6 | Li125 | 100.2(10) | S22 | Li15 | Li6 | 53.8(15) | |
| Li72 | Li6 | Li15 | 14.8(14) | S22 | Li15 | I1 | 106(2) | |
| Li72 | Li6 | I16 | 99.5(12) | S22 | Li15 | S11 | 108(2) | |
| Li72 | Li6 | S1 | 64.4(10) | S3 | Li15 | Li1 | 58.0(15) | |
| Li72 | Li6 | S22 | 61.5(10) | S3 | Li15 | Li47 | 84(2) | |
| Li72 | Li6 | S32 | 111.5(11) | S3 | Li15 | Li57 | 135(3) | |
| Li125 | Li6 | Li45 | 16.2(6) | S3 | Li15 | Li6 | 108(2) | |
| Li132 | Li6 | Si12 | 102(2) | S3 | Li15 | I1 | 102(2) | |
| Li132 | Li6 | Li45 | 73(2) | S3 | Li15 | S11 | 91(2) | |
| Li132 | Li6 | Li42 | 87(2) | S3 | Li15 | S22 | 146(3) | |
| Li132 | Li6 | Li72 | 178(2) | Li1 | I1 | Li313 | 131.2(3) | |
| Li132 | Li6 | Li125 | 79(2) | Li1 | I1 | Li31 | 58.8(3) | |
| Li132 | Li6 | Li15 | 168(3) | Li1 | I1 | Li72 | 70.3(4) | |
| Li132 | Li6 | I16 | 78.6(18) | Li1 | I1 | Li1311 | 123.9(9) | |
| Li132 | Li6 | S1 | 114(3) | Li1 | I1 | Li15 | 58.0(12) | |
| Li132 | Li6 | S22 | 120(2) | Li3 | I1 | Li1 | 103.3(4) | |
| Li132 | Li6 | S32 | 70(2) | Li3 | I1 | Li313 | 99.1(4) | |
| Li15 | Li6 | Li45 | 115.6(14) | Li3 | I1 | Li31 | 161.4(6) | |
| Li15 | Li6 | Li42 | 95.1(14) | Li313 | I1 | Li31 | 90.9(3) | |
| Li15 | Li6 | Li125 | 106.3(13) | Li3 | I1 | Li72 | 66.9(5) | |
| I16 | Li6 | Si12 | 146.5(11) | Li3 | I1 | Li1311 | 90.1(11) | |
| I16 | Li6 | Li42 | 133.6(12) | Li3 | I1 | Li15 | 86.4(13) | |
| I16 | Li6 | Li45 | 99.7(10) | Li313 | I1 | Li15 | 81.2(11) | |
| I16 | Li6 | Li125 | 115.8(9) | Li511 | I1 | Li1 | 136.9(7) | |
| I16 | Li6 | Li15 | 107.8(18) | Li511 | I1 | Li313 | 83.7(7) | |
| S1 | Li6 | Si12 | 117.6(10) | Li511 | I1 | Li31 | 104.1(9) | |
| S1 | Li6 | Li42 | 54.3(7) | Li511 | I1 | Li3 | 92.6(9) | |
| S1 | Li6 | Li45 | 44.5(6) | Li511 | I1 | Li72 | 151.0(8) | |
| S1 | Li6 | Li125 | 47.0(5) | Li511 | I1 | Li1311 | 14.8(8) | |
| S1 | Li6 | Li15 | 77.1(15) | Li511 | I1 | Li15 | 164.5(13) | |
| S1 | Li6 | I16 | 91.7(8) | Li613 | I1 | Li1 | 129.6(6) | |
| S1 | Li6 | S22 | 124.9(15) | Li613 | I1 | Li31 | 84.5(8) | |
| S22 | Li6 | Si12 | 43.9(4) | Li613 | I1 | Li3 | 113.0(8) | |
| S22 | Li6 | Li42 | 118.4(11) | Li613 | I1 | Li313 | 76.9(7) | |
| S22 | Li6 | Li45 | 152.2(11) | Li613 | I1 | Li511 | 20.8(10) | |
| S22 | Li6 | Li125 | 136.2(9) | Li613 | I1 | Li72 | 156.3(7) | |
| S22 | Li6 | Li15 | 47.9(14) | Li613 | I1 | Li1311 | 29.5(13) | |
| S22 | Li6 | I16 | 106.7(10) | Li613 | I1 | Li141 | 93(3) | |
| S32 | Li6 | Si12 | 44.0(4) | Li613 | I1 | Li15 | 152.6(14) | |
| S32 | Li6 | Li45 | 74.0(9) | Li72 | I1 | Li313 | 79.8(4) | |
| S32 | Li6 | Li42 | 49.1(7) | Li72 | I1 | Li31 | 99.8(5) | |
| S32 | Li6 | Li125 | 61.5(6) | Li72 | I1 | Li1311 | 156.2(11) | |
| S32 | Li6 | Li15 | 102.1(16) | Li72 | I1 | Li15 | 20.2(12) | |
| S32 | Li6 | I16 | 148.9(16) | Li103 | I1 | Li1 | 67.0(5) | |
| S32 | Li6 | S1 | 103.0(9) | Li103 | I1 | Li313 | 161.7(5) | |
| S32 | Li6 | S22 | 87.3(8) | Li103 | I1 | Li3 | 72.9(5) | |
| Si12 | Li7 | Li12 | 81.0(4) | Li103 | I1 | Li31 | 101.6(5) | |
| Si12 | Li7 | Li32 | 77.0(5) | Li103 | I1 | Li511 | 80.4(8) | |
| Si12 | Li7 | Li5 | 87.8(7) | Li103 | I1 | Li613 | 91.0(8) | |
| Si12 | Li7 | Li125 | 96.8(5) | Li103 | I1 | Li72 | 110.6(4) | |
| Li32 | Li7 | Li12 | 87.8(5) | Li103 | I1 | Li1311 | 65.7(10) | |
| Li32 | Li7 | Li5 | 76.0(7) | Li103 | I1 | Li141 | 22(3) | |
| Li42 | Li7 | Si12 | 97.0(9) | Li103 | I1 | Li15 | 114.0(11) | |
| Li42 | Li7 | Li12 | 73.0(9) | Li1311 | I1 | Li313 | 98.6(9) | |
| Li42 | Li7 | Li32 | 160.6(11) | Li1311 | I1 | Li31 | 104.0(11) | |
| Li42 | Li7 | Li5 | 122.6(11) | Li1311 | I1 | Li15 | 176.4(16) | |
| Li42 | Li7 | Li62 | 117.3(12) | Li141 | I1 | Li1 | 51(2) | |
| Li42 | Li7 | Li125 | 1.0(7) | Li141 | I1 | Li3 | 92(3) | |
| Li42 | Li7 | I12 | 111.6(10) | Li141 | I1 | Li31 | 80(3) | |
| Li42 | Li7 | S12 | 134.7(10) | Li141 | I1 | Li313 | 167(3) | |
| Li42 | Li7 | S2 | 65.1(9) | Li141 | I1 | Li511 | 89(2) | |
| Li42 | Li7 | S32 | 61.9(9) | Li141 | I1 | Li72 | 111(2) | |
| Li5 | Li7 | Li12 | 162.1(9) | Li141 | I1 | Li1311 | 75(3) | |
| Li62 | Li7 | Si12 | 96.2(9) | Li141 | I1 | Li15 | 106(3) | |
| Li62 | Li7 | Li12 | 169.6(10) | Li15 | I1 | Li31 | 79.6(13) | |
| Li62 | Li7 | Li32 | 81.8(9) | Si1 | S1 | Li15 | 89.41(19) | |
| Li62 | Li7 | Li5 | 9.3(10) | Si1 | S1 | Li3 | 116.3(3) | |
| Li62 | Li7 | Li125 | 116.4(9) | Si1 | S1 | Li42 | 76.2(6) | |
| Li62 | Li7 | I12 | 118.5(10) | Si1 | S1 | Li45 | 106.3(7) | |
| Li62 | Li7 | S12 | 62.7(9) | Si1 | S1 | Li52 | 131.5(7) | |
| Li62 | Li7 | S2 | 64.8(8) | Si1 | S1 | Li6 | 119.3(6) | |
| Li62 | Li7 | S32 | 132.5(10) | Si1 | S1 | Li72 | 81.4(4) | |
| Li125 | Li7 | Li12 | 74.0(5) | Si1 | S1 | Li125 | 90.66(5) | |
| Li125 | Li7 | Li32 | 161.5(7) | Si1 | S1 | Li155 | 122.2(13) | |
| Li125 | Li7 | Li5 | 121.6(7) | Li15 | S1 | Li155 | 65.3(15) | |
| Li152 | Li7 | Si12 | 107(3) | Li3 | S1 | Li15 | 72.1(3) | |
| Li152 | Li7 | Li12 | 58(4) | Li3 | S1 | Li42 | 166.3(6) | |
| Li152 | Li7 | Li32 | 143(4) | Li3 | S1 | Li52 | 100.0(7) | |
| Li152 | Li7 | Li42 | 21(4) | Li3 | S1 | Li6 | 93.4(7) | |
| Li152 | Li7 | Li5 | 140(4) | Li3 | S1 | Li72 | 78.4(5) | |
| Li152 | Li7 | Li62 | 132(4) | Li3 | S1 | Li155 | 104.2(16) | |
| Li152 | Li7 | Li125 | 22(4) | Li42 | S1 | Li15 | 115.4(7) | |
| Li152 | Li7 | I12 | 90(4) | Li45 | S1 | Li15 | 82.5(8) | |
| Li152 | Li7 | S12 | 149(3) | Li45 | S1 | Li3 | 129.2(8) | |
| Li152 | Li7 | S2 | 70(3) | Li45 | S1 | Li42 | 45.3(14) | |
| Li152 | Li7 | S32 | 65(3) | Li45 | S1 | Li52 | 67.5(11) | |
| I12 | Li7 | Si12 | 112.8(5) | Li42 | S1 | Li52 | 66.4(8) | |
| I12 | Li7 | Li12 | 54.7(3) | Li45 | S1 | Li6 | 88.5(11) | |
| I12 | Li7 | Li32 | 56.2(4) | Li45 | S1 | Li72 | 136.3(8) | |
| I12 | Li7 | Li5 | 118.8(8) | Li45 | S1 | Li155 | 25.6(16) | |
| I12 | Li7 | Li125 | 112.6(6) | Li42 | S1 | Li155 | 70.9(19) | |
| S12 | Li7 | Si12 | 42.8(2) | Li52 | S1 | Li15 | 133.8(9) | |
| S12 | Li7 | Li12 | 109.9(5) | Li52 | S1 | Li155 | 73.5(17) | |
| S12 | Li7 | Li32 | 49.5(4) | Li6 | S1 | Li15 | 151.3(7) | |
| S12 | Li7 | Li5 | 53.5(7) | Li6 | S1 | Li42 | 74.7(9) | |
| S12 | Li7 | Li125 | 134.2(6) | Li6 | S1 | Li52 | 22.6(10) | |
| S12 | Li7 | I12 | 104.7(6) | Li6 | S1 | Li72 | 52.9(10) | |
| S2 | Li7 | Si12 | 138.3(6) | Li6 | S1 | Li155 | 96.0(16) | |
| S2 | Li7 | Li12 | 123.5(7) | Li72 | S1 | Li15 | 141.1(4) | |
| S2 | Li7 | Li32 | 130.9(8) | Li72 | S1 | Li42 | 99.1(8) | |
| S2 | Li7 | Li5 | 73.9(7) | Li72 | S1 | Li52 | 75.4(10) | |
| S2 | Li7 | Li125 | 64.7(4) | Li72 | S1 | Li155 | 148.8(13) | |
| S2 | Li7 | I12 | 108.9(5) | Li125 | S1 | Li15 | 100.1(2) | |
| S2 | Li7 | S12 | 126.4(7) | Li125 | S1 | Li3 | 151.2(3) | |
| S2 | Li7 | S32 | 125.3(8) | Li125 | S1 | Li42 | 21.6(7) | |
| S32 | Li7 | Si12 | 42.7(2) | Li125 | S1 | Li45 | 23.7(8) | |
| S32 | Li7 | Li12 | 50.0(4) | Li125 | S1 | Li52 | 64.8(7) | |
| S32 | Li7 | Li32 | 103.8(6) | Li125 | S1 | Li6 | 80.6(8) | |
| S32 | Li7 | Li5 | 126.3(8) | Li125 | S1 | Li72 | 117.6(4) | |
| S32 | Li7 | Li125 | 62.1(5) | Li125 | S1 | Li155 | 49.3(16) | |
| S32 | Li7 | I12 | 102.2(6) | Si1 | S2 | Li42 | 79.9(6) | |
| S32 | Li7 | S12 | 85.1(5) | Si1 | S2 | Li55 | 111.0(6) | |
| Si29 | Li8 | Li119 | 82.6(8) | Si1 | S2 | Li62 | 79.1(6) | |
| Li89 | Li8 | Si29 | 91.1(18) | Si1 | S2 | Li7 | 97.3(4) | |
| Li89 | Li8 | Li93 | 75.6(18) | Si1 | S2 | Li910 | 90.4(5) | |
| Li89 | Li8 | Li95 | 78(2) | Si1 | S2 | Li1114 | 101.9(7) | |
| Li89 | Li8 | Li109 | 169(2) | Si1 | S2 | Li125 | 73.99(4) | |
| Li89 | Li8 | Li119 | 88(2) | Si1 | S2 | Li135 | 110.4(8) | |
| Li89 | Li8 | Li14 | 162(5) | Si1 | S2 | Li152 | 97.6(16) | |
| Li89 | Li8 | Li149 | 10(3) | Li42 | S2 | Li55 | 66.4(10) | |
| Li89 | Li8 | S59 | 65.3(17) | Li42 | S2 | Li62 | 95.6(10) | |
| Li89 | Li8 | S5 | 84.7(19) | Li42 | S2 | Li910 | 164.0(10) | |
| Li89 | Li8 | S69 | 110(2) | Li42 | S2 | Li1114 | 152.1(11) | |
| Li89 | Li8 | S75 | 127(2) | Li42 | S2 | Li125 | 17.4(8) | |
| Li93 | Li8 | Si29 | 85.1(7) | Li42 | S2 | Li135 | 81.6(12) | |
| Li95 | Li8 | Si29 | 95.5(8) | Li55 | S2 | Li125 | 56.1(7) | |
| Li95 | Li8 | Li93 | 154.0(11) | Li62 | S2 | Li55 | 156.2(11) | |
| Li95 | Li8 | Li119 | 15.8(6) | Li62 | S2 | Li910 | 95.0(10) | |
| Li93 | Li8 | Li119 | 159.1(11) | Li62 | S2 | Li1114 | 112.1(11) | |
| Li109 | Li8 | Si29 | 79.7(8) | Li62 | S2 | Li125 | 109.9(7) | |
| Li109 | Li8 | Li95 | 107.5(11) | Li62 | S2 | Li135 | 169.3(12) | |
| Li109 | Li8 | Li93 | 98.2(10) | Li7 | S2 | Li42 | 50.0(9) | |
| Li109 | Li8 | Li119 | 96.2(10) | Li7 | S2 | Li55 | 102.9(8) | |
| Li109 | Li8 | Li149 | 164(3) | Li7 | S2 | Li62 | 53.6(10) | |
| Li109 | Li8 | S5 | 99.7(10) | Li7 | S2 | Li910 | 144.9(8) | |
| Li109 | Li8 | S59 | 109.9(10) | Li7 | S2 | Li1114 | 153.3(7) | |
| Li109 | Li8 | S69 | 59.3(7) | Li7 | S2 | Li125 | 67.4(5) | |
| Li109 | Li8 | S75 | 62.5(8) | Li7 | S2 | Li135 | 118.5(11) | |
| Li149 | Li8 | Si29 | 84(3) | Li910 | S2 | Li55 | 106.1(9) | |
| Li14 | Li8 | Si29 | 102(5) | Li910 | S2 | Li125 | 146.9(6) | |
| Li14 | Li8 | Li95 | 112(4) | Li1114 | S2 | Li55 | 87.5(11) | |
| Li149 | Li8 | Li95 | 73(2) | Li1114 | S2 | Li910 | 19.2(8) | |
| Li14 | Li8 | Li93 | 93(4) | Li1114 | S2 | Li125 | 136.0(7) | |
| Li149 | Li8 | Li93 | 82(2) | Li1114 | S2 | Li135 | 71.7(13) | |
| Li14 | Li8 | Li109 | 23(4) | Li135 | S2 | Li55 | 16.2(9) | |
| Li14 | Li8 | Li119 | 106(4) | Li135 | S2 | Li910 | 90.1(12) | |
| Li149 | Li8 | Li119 | 80(2) | Li135 | S2 | Li125 | 69.4(10) | |
| Li14 | Li8 | Li149 | 172(2) | Li152 | S2 | Li42 | 27.7(19) | |
| Li14 | Li8 | S5 | 78(5) | Li152 | S2 | Li55 | 79.0(19) | |
| Li14 | Li8 | S59 | 132(5) | Li152 | S2 | Li62 | 78.3(19) | |
| Li14 | Li8 | S69 | 73(4) | Li152 | S2 | Li7 | 25.5(17) | |
| Li14 | Li8 | S75 | 60(4) | Li152 | S2 | Li910 | 168(2) | |
| S59 | Li8 | Si29 | 42.6(3) | Li152 | S2 | Li1114 | 159.3(17) | |
| S5 | Li8 | Si29 | 144.8(9) | Li152 | S2 | Li125 | 44.6(19) | |
| S5 | Li8 | Li93 | 60.0(7) | Li152 | S2 | Li135 | 95(2) | |
| S59 | Li8 | Li93 | 109.4(8) | Si1 | S3 | Li1 | 125.3(2) | |
| S5 | Li8 | Li95 | 117.6(10) | Si1 | S3 | Li2 | 97.2(3) | |
| S59 | Li8 | Li95 | 58.4(7) | Si1 | S3 | Li4 | 120.7(7) | |
| S5 | Li8 | Li119 | 131.9(11) | Si1 | S3 | Li5 | 104.5(10) | |
| S59 | Li8 | Li119 | 51.1(7) | Si1 | S3 | Li62 | 81.3(8) | |
| S59 | Li8 | Li149 | 56(2) | Si1 | S3 | Li72 | 82.4(4) | |
| S5 | Li8 | Li149 | 94(3) | Si1 | S3 | Li12 | 131.17(5) | |
| S5 | Li8 | S59 | 149.9(12) | Si1 | S3 | Li13 | 104.9(12) | |
| S5 | Li8 | S69 | 106.4(8) | Si1 | S3 | Li15 | 106.6(18) | |
| S5 | Li8 | S75 | 98.4(7) | Li1 | S3 | Li12 | 88.7(2) | |
| S69 | Li8 | Si29 | 43.1(3) | Li2 | S3 | Li1 | 72.1(3) | |
| S69 | Li8 | Li93 | 56.3(7) | Li2 | S3 | Li62 | 107.0(8) | |
| S69 | Li8 | Li95 | 135.8(10) | Li2 | S3 | Li72 | 147.1(4) | |
| S69 | Li8 | Li119 | 120.7(10) | Li2 | S3 | Li12 | 128.6(3) | |
| S69 | Li8 | Li149 | 109(3) | Li4 | S3 | Li1 | 85.2(7) | |
| S69 | Li8 | S59 | 85.2(6) | Li4 | S3 | Li2 | 142.1(7) | |
| S75 | Li8 | Si29 | 111.8(8) | Li4 | S3 | Li62 | 80.2(10) | |
| S75 | Li8 | Li93 | 149.7(11) | Li4 | S3 | Li72 | 50.1(9) | |
| S75 | Li8 | Li95 | 52.9(6) | Li4 | S3 | Li12 | 18.0(8) | |
| S75 | Li8 | Li119 | 51.2(6) | Li5 | S3 | Li1 | 129.6(10) | |
| S75 | Li8 | Li149 | 124(3) | Li5 | S3 | Li2 | 96.7(9) | |
| S75 | Li8 | S59 | 99.6(7) | Li5 | S3 | Li4 | 74.5(11) | |
| S75 | Li8 | S69 | 119.4(11) | Li5 | S3 | Li62 | 24.3(11) | |
| Li81 | Li9 | Li83 | 26.0(11) | Li5 | S3 | Li72 | 115.3(9) | |
| Li83 | Li9 | Li10 | 90.7(8) | Li5 | S3 | Li12 | 59.8(8) | |
| Li81 | Li9 | Li10 | 80.3(8) | Li5 | S3 | Li13 | 17.9(10) | |
| Li83 | Li9 | Li143 | 27(2) | Li62 | S3 | Li1 | 153.4(8) | |
| Li81 | Li9 | Li143 | 53(2) | Li62 | S3 | Li72 | 105.4(9) | |
| Li83 | Li9 | S44 | 147.4(10) | Li62 | S3 | Li12 | 70.9(7) | |
| Li81 | Li9 | S44 | 139.2(9) | Li72 | S3 | Li1 | 81.3(4) | |
| Li10 | Li9 | Li143 | 95(2) | Li72 | S3 | Li12 | 68.1(4) | |
| Li113 | Li9 | Li81 | 97(2) | Li13 | S3 | Li1 | 123.9(13) | |
| Li113 | Li9 | Li83 | 111(3) | Li13 | S3 | Li2 | 78.9(11) | |
| Li113 | Li9 | Li10 | 21(2) | Li13 | S3 | Li4 | 89.8(13) | |
| Li113 | Li9 | Li143 | 116(3) | Li13 | S3 | Li62 | 34.8(15) | |
| Li113 | Li9 | S24 | 77(2) | Li13 | S3 | Li72 | 133.1(11) | |
| Li113 | Li9 | S44 | 97(3) | Li13 | S3 | Li12 | 73.4(11) | |
| Li113 | Li9 | S53 | 68(2) | Li15 | S3 | Li1 | 72.8(18) | |
| Li113 | Li9 | S61 | 163(3) | Li15 | S3 | Li2 | 144.6(18) | |
| Li113 | Li9 | S7 | 84(2) | Li15 | S3 | Li4 | 28.5(19) | |
| S24 | Li9 | Li81 | 147.4(11) | Li15 | S3 | Li5 | 102(2) | |
| S24 | Li9 | Li83 | 127.1(10) | Li15 | S3 | Li62 | 102(2) | |
| S24 | Li9 | Li10 | 84.3(7) | Li15 | S3 | Li72 | 25.0(18) | |
| S24 | Li9 | Li143 | 101(2) | Li15 | S3 | Li12 | 46(2) | |
| S24 | Li9 | S44 | 73.3(6) | Li15 | S3 | Li13 | 118(2) | |
| S24 | Li9 | S53 | 93.3(7) | Si1 | S4 | Li15 | 82.27(19) | |
| S24 | Li9 | S61 | 107.2(8) | Si1 | S4 | Li25 | 111.8(2) | |
| S44 | Li9 | Li10 | 118.7(9) | Si1 | S4 | Li910 | 79.6(4) | |
| S44 | Li9 | Li143 | 144(2) | Si2 | S4 | Si1 | 111.72(5) | |
| S53 | Li9 | Li83 | 49.8(6) | Si2 | S4 | Li15 | 82.09(19) | |
| S53 | Li9 | Li81 | 55.4(6) | Si2 | S4 | Li25 | 117.04(19) | |
| S53 | Li9 | Li10 | 47.5(5) | Si2 | S4 | Li910 | 142.0(5) | |
| S53 | Li9 | Li143 | 48(2) | Li15 | S4 | Li910 | 135.9(5) | |
| S53 | Li9 | S44 | 162.8(10) | Li25 | S4 | Li15 | 61.6(3) | |
| S61 | Li9 | Li83 | 53.1(7) | Li25 | S4 | Li910 | 88.8(6) | |
| S61 | Li9 | Li81 | 70.8(8) | Si2 | S5 | Li15 | 89.20(19) | |
| S61 | Li9 | Li10 | 142.0(10) | Si2 | S5 | Li3 | 117.2(4) | |
| S61 | Li9 | Li143 | 47(2) | Si2 | S5 | Li89 | 79.1(5) | |
| S61 | Li9 | S44 | 99.3(8) | Si2 | S5 | Li8 | 95.6(6) | |
| S61 | Li9 | S53 | 95.0(9) | Si2 | S5 | Li93 | 132.3(5) | |
| S7 | Li9 | Li81 | 53.8(7) | Si2 | S5 | Li103 | 77.7(4) | |
| S7 | Li9 | Li83 | 78.1(8) | Si2 | S5 | Li11 | 123.5(6) | |
| S7 | Li9 | Li10 | 85.0(7) | Si2 | S5 | Li14 | 115(3) | |
| S7 | Li9 | Li143 | 105(2) | Li15 | S5 | Li93 | 131.0(6) | |
| S7 | Li9 | S24 | 152.7(12) | Li3 | S5 | Li15 | 71.8(3) | |
| S7 | Li9 | S44 | 90.1(8) | Li3 | S5 | Li89 | 163.5(7) | |
| S7 | Li9 | S53 | 97.9(7) | Li3 | S5 | Li93 | 101.4(5) | |
| S7 | Li9 | S61 | 96.7(8) | Li3 | S5 | Li103 | 83.0(4) | |
| Si23 | Li10 | Li13 | 84.9(4) | Li3 | S5 | Li11 | 96.4(7) | |
| Si23 | Li10 | Li33 | 76.9(5) | Li3 | S5 | Li14 | 102(3) | |
| Si23 | Li10 | Li9 | 87.9(7) | Li89 | S5 | Li15 | 107.3(5) | |
| Si23 | Li10 | Li1310 | 150.6(13) | Li8 | S5 | Li15 | 82.7(6) | |
| Li13 | Li10 | Li33 | 88.5(5) | Li8 | S5 | Li3 | 137.2(7) | |
| Li13 | Li10 | Li9 | 161.7(8) | Li8 | S5 | Li89 | 30.1(12) | |
| Li33 | Li10 | Li9 | 73.4(7) | Li8 | S5 | Li93 | 70.3(7) | |
| Li89 | Li10 | Si23 | 98.2(8) | Li89 | S5 | Li93 | 66.2(7) | |
| Li89 | Li10 | Li13 | 75.1(8) | Li8 | S5 | Li103 | 133.1(7) | |
| Li89 | Li10 | Li33 | 163.3(10) | Li8 | S5 | Li11 | 86.1(10) | |
| Li89 | Li10 | Li9 | 122.7(9) | Li8 | S5 | Li14 | 36(3) | |
| Li89 | Li10 | Li113 | 119.7(10) | Li103 | S5 | Li15 | 142.3(4) | |
| Li89 | Li10 | Li1310 | 109.6(12) | Li103 | S5 | Li89 | 104.6(7) | |
| Li89 | Li10 | I13 | 115.9(10) | Li103 | S5 | Li93 | 80.4(7) | |
| Li89 | Li10 | S53 | 136.8(9) | Li103 | S5 | Li14 | 161(3) | |
| Li89 | Li10 | S6 | 64.6(7) | Li11 | S5 | Li15 | 146.3(7) | |
| Li89 | Li10 | S73 | 61.8(7) | Li11 | S5 | Li89 | 75.1(8) | |
| Li113 | Li10 | Si23 | 94.6(9) | Li11 | S5 | Li93 | 18.5(8) | |
| Li113 | Li10 | Li13 | 165.0(9) | Li11 | S5 | Li103 | 62.1(10) | |
| Li113 | Li10 | Li33 | 76.8(8) | Li11 | S5 | Li14 | 99(3) | |
| Li113 | Li10 | Li9 | 6.9(8) | Li14 | S5 | Li15 | 55(3) | |
| Li113 | Li10 | Li1310 | 63.5(12) | Li14 | S5 | Li89 | 66(3) | |
| Li113 | Li10 | I13 | 109.3(8) | Li14 | S5 | Li93 | 80(3) | |
| Li1310 | Li10 | Li13 | 111.0(11) | Si2 | S6 | Li210 | 95.3(2) | |
| Li1310 | Li10 | Li33 | 78.9(10) | Si2 | S6 | Li89 | 82.0(5) | |
| Li1310 | Li10 | Li9 | 69.2(11) | Si2 | S6 | Li95 | 118.7(5) | |
| Li149 | Li10 | Si23 | 104(6) | Si2 | S6 | Li10 | 101.2(4) | |
| Li149 | Li10 | Li13 | 43(7) | Si2 | S6 | Li113 | 81.3(6) | |
| Li149 | Li10 | Li33 | 130(7) | Si2 | S6 | Li1310 | 148.1(12) | |
| Li149 | Li10 | Li89 | 35(7) | Si2 | S6 | Li149 | 105(3) | |
| Li149 | Li10 | Li9 | 155(7) | Li210 | S6 | Li89 | 159.1(7) | |
| Li149 | Li10 | Li113 | 150(7) | Li210 | S6 | Li95 | 93.1(6) | |
| Li149 | Li10 | Li1310 | 104(6) | Li210 | S6 | Li113 | 90.1(6) | |
| Li149 | Li10 | I13 | 83(6) | Li210 | S6 | Li1310 | 74.3(8) | |
| Li149 | Li10 | S53 | 147(7) | Li210 | S6 | Li149 | 158(3) | |
| Li149 | Li10 | S6 | 85(7) | Li89 | S6 | Li95 | 70.6(7) | |
| Li149 | Li10 | S73 | 60(6) | Li89 | S6 | Li113 | 109.9(8) | |
| I13 | Li10 | Si23 | 116.9(5) | Li89 | S6 | Li1310 | 118.0(10) | |
| I13 | Li10 | Li13 | 58.4(4) | Li89 | S6 | Li149 | 36(3) | |
| I13 | Li10 | Li33 | 55.1(4) | Li95 | S6 | Li113 | 159.3(7) | |
| I13 | Li10 | Li9 | 111.0(7) | Li95 | S6 | Li1310 | 92.3(12) | |
| I13 | Li10 | Li1310 | 59.3(9) | Li10 | S6 | Li210 | 144.0(6) | |
| S53 | Li10 | Si23 | 44.3(3) | Li10 | S6 | Li89 | 56.1(8) | |
| S53 | Li10 | Li13 | 113.0(5) | Li10 | S6 | Li95 | 106.2(8) | |
| S53 | Li10 | Li33 | 47.6(4) | Li10 | S6 | Li113 | 61.6(8) | |
| S53 | Li10 | Li9 | 52.0(6) | Li10 | S6 | Li1310 | 74.9(9) | |
| S53 | Li10 | Li113 | 58.8(8) | Li10 | S6 | Li149 | 25(3) | |
| S53 | Li10 | Li1310 | 106.4(12) | Li1310 | S6 | Li113 | 68.9(13) | |
| S53 | Li10 | I13 | 102.6(6) | Li149 | S6 | Li95 | 83(3) | |
| S6 | Li10 | Si23 | 134.6(7) | Li149 | S6 | Li113 | 86(3) | |
| S6 | Li10 | Li13 | 125.0(9) | Li149 | S6 | Li1310 | 85(3) | |
| S6 | Li10 | Li33 | 129.9(8) | Si2 | S7 | Li1 | 121.7(2) | |
| S6 | Li10 | Li9 | 71.1(7) | Si2 | S7 | Li2 | 99.5(3) | |
| S6 | Li10 | Li113 | 64.9(7) | Si2 | S7 | Li81 | 121.9(6) | |
| S6 | Li10 | Li1310 | 56.0(8) | Si2 | S7 | Li9 | 105.7(7) | |
| S6 | Li10 | I13 | 108.2(6) | Si2 | S7 | Li103 | 79.4(5) | |
| S6 | Li10 | S53 | 121.9(9) | Si2 | S7 | Li113 | 86.4(8) | |
| S6 | Li10 | S73 | 123.7(8) | Si2 | S7 | Li141 | 104(4) | |
| S73 | Li10 | Si23 | 44.4(3) | Li2 | S7 | Li1 | 71.4(3) | |
| S73 | Li10 | Li13 | 53.5(4) | Li2 | S7 | Li103 | 140.3(4) | |
| S73 | Li10 | Li33 | 105.9(6) | Li2 | S7 | Li113 | 108.8(6) | |
| S73 | Li10 | Li9 | 128.1(8) | Li81 | S7 | Li1 | 83.6(5) | |
| S73 | Li10 | Li113 | 133.5(10) | Li81 | S7 | Li2 | 138.6(6) | |
| S73 | Li10 | Li1310 | 162.7(14) | Li81 | S7 | Li103 | 55.6(8) | |
| S73 | Li10 | I13 | 109.4(7) | Li81 | S7 | Li113 | 78.7(8) | |
| S73 | Li10 | S53 | 88.3(5) | Li9 | S7 | Li1 | 132.5(7) | |
| Si23 | Li11 | Li8 | 101.4(8) | Li9 | S7 | Li2 | 99.7(6) | |
| Li89 | Li11 | Si23 | 78.3(7) | Li9 | S7 | Li81 | 73.3(9) | |
| Li89 | Li11 | Li8 | 23.1(10) | Li9 | S7 | Li103 | 119.0(7) | |
| Li93 | Li11 | Si23 | 115(3) | Li9 | S7 | Li113 | 20.1(8) | |
| Li93 | Li11 | Li8 | 55(2) | Li103 | S7 | Li1 | 75.7(5) | |
| Li93 | Li11 | Li89 | 67(2) | Li103 | S7 | Li113 | 110.7(7) | |
| Li93 | Li11 | Li103 | 152(3) | Li113 | S7 | Li1 | 151.8(8) | |
| Li93 | Li11 | Li1311 | 136(3) | Li141 | S7 | Li1 | 61(3) | |
| Li93 | Li11 | S212 | 84(2) | Li141 | S7 | Li2 | 133(3) | |
| Li93 | Li11 | S5 | 93(3) | Li141 | S7 | Li81 | 39(4) | |
| Li93 | Li11 | S63 | 150(3) | Li141 | S7 | Li9 | 112(4) | |
| Li93 | Li11 | S73 | 76(3) | Li141 | S7 | Li103 | 25(4) | |
| Li103 | Li11 | Si23 | 73.3(8) | Li141 | S7 | Li113 | 113(3) | |
| Li103 | Li11 | Li8 | 97.8(8) |
| A | B | C | D | Angle/˚ | A | B | C | D | Angle/˚ | |
|---|---|---|---|---|---|---|---|---|---|---|
| Si11 | Li4 | Li12 | Li5 | 95.1(10) | Li12 | Li4 | Li15 | S3 | 105(14) | |
| Si11 | Li4 | Li12 | Li52 | -84.9(10) | Li12 | Li5 | Li13 | Li2 | -52(10) | |
| Si11 | Li4 | Li12 | Li15 | -139(14) | Li12 | Li5 | Li13 | Li4 | -25.2(19) | |
| Si11 | Li4 | Li12 | S13 | -148.2(7) | Li12 | Li5 | Li13 | Li42 | 26(3) | |
| Si11 | Li4 | Li12 | S11 | 31.8(7) | Li12 | Li5 | Li13 | Li61 | -137(7) | |
| Si11 | Li4 | Li12 | S23 | 139.2(10) | Li12 | Li5 | Li13 | Li108 | 137(4) | |
| Si11 | Li4 | Li12 | S21 | -40.8(10) | Li12 | Li5 | Li13 | Li119 | 61(8) | |
| Si11 | Li4 | Li12 | S3 | 122.6(17) | Li12 | Li5 | Li13 | I19 | 147(5) | |
| Si11 | Li4 | Li12 | S32 | -57.4(17) | Li12 | Li5 | Li13 | S23 | 47(5) | |
| Si11 | Li4 | Li15 | Li1 | -170.6(15) | Li12 | Li5 | Li13 | S3 | -57(5) | |
| Si11 | Li4 | Li15 | Li42 | 138(14) | Li12 | Li5 | Li13 | S68 | -135(14) | |
| Si11 | Li4 | Li15 | Li52 | 87.3(14) | Li152 | Li4 | Li12 | Li5 | 54(14) | |
| Si11 | Li4 | Li15 | Li6 | -11(3) | Li152 | Li4 | Li12 | Li52 | -126(14) | |
| Si11 | Li4 | Li15 | Li71 | -38(9) | Li15 | Li4 | Li12 | Li5 | -126(14) | |
| Si11 | Li4 | Li15 | Li12 | 138(14) | Li15 | Li4 | Li12 | Li52 | 54(14) | |
| Si11 | Li4 | Li15 | I1 | 144(7) | Li152 | Li4 | Li12 | Li15 | 180.00(9) | |
| Si11 | Li4 | Li15 | S13 | 147.2(14) | Li152 | Li4 | Li12 | S11 | -10(14) | |
| Si11 | Li4 | Li15 | S21 | 33.5(17) | Li152 | Li4 | Li12 | S13 | 170(14) | |
| Si11 | Li4 | Li15 | S3 | -116.9(14) | Li15 | Li4 | Li12 | S11 | 170(14) | |
| Si24 | Li8 | Li14 | Li15 | 170(4) | Li15 | Li4 | Li12 | S13 | -10(14) | |
| Si24 | Li8 | Li14 | Li84 | -135(17) | Li152 | Li4 | Li12 | S21 | -82(14) | |
| Si24 | Li8 | Li14 | Li96 | -85.7(12) | Li15 | Li4 | Li12 | S23 | -82(14) | |
| Si24 | Li8 | Li14 | Li104 | 18(11) | Li152 | Li4 | Li12 | S23 | 98(14) | |
| Si24 | Li8 | Li14 | Li137 | -50(5) | Li15 | Li4 | Li12 | S21 | 98(14) | |
| Si24 | Li8 | Li14 | I15 | -110(15) | Li15 | Li4 | Li12 | S32 | 81(14) | |
| Si24 | Li8 | Li14 | S5 | -144.0(10) | Li152 | Li4 | Li12 | S3 | 81(14) | |
| Si24 | Li8 | Li14 | S64 | -32(2) | Li15 | Li4 | Li12 | S3 | -99(14) | |
| Si24 | Li8 | Li14 | S75 | 109(3) | Li152 | Li4 | Li12 | S32 | -99(14) | |
| Li42 | Li4 | Li12 | Li5 | 75(19) | Li152 | Li4 | Li15 | Li1 | 51(15) | |
| Li42 | Li4 | Li12 | Li52 | -105(19) | Li152 | Li4 | Li15 | Li42 | 0.00(7) | |
| Li42 | Li4 | Li12 | Li15 | -158(24) | Li152 | Li4 | Li15 | Li52 | -51(13) | |
| Li42 | Li4 | Li12 | S13 | -168(19) | Li152 | Li4 | Li15 | Li6 | -149(12) | |
| Li42 | Li4 | Li12 | S11 | 12(19) | Li152 | Li4 | Li15 | Li71 | -176(8) | |
| Li42 | Li4 | Li12 | S21 | -61(19) | Li152 | Li4 | Li15 | Li12 | 0.00(11) | |
| Li42 | Li4 | Li12 | S23 | 119(19) | Li152 | Li4 | Li15 | I1 | 6(21) | |
| Li42 | Li4 | Li12 | S32 | -77(20) | Li152 | Li4 | Li15 | S13 | 9(13) | |
| Li42 | Li4 | Li12 | S3 | 103(20) | Li152 | Li4 | Li15 | S21 | -104(14) | |
| Li42 | Li4 | Li15 | Li1 | 51(15) | Li152 | Li4 | Li15 | S3 | 105(14) | |
| Li42 | Li4 | Li15 | Li52 | -51(13) | Li152 | Li5 | Li13 | Li2 | -103(6) | |
| Li42 | Li4 | Li15 | Li6 | -149(12) | Li152 | Li5 | Li13 | Li4 | -77(6) | |
| Li42 | Li4 | Li15 | Li71 | -176(8) | Li152 | Li5 | Li13 | Li42 | -26(3) | |
| Li42 | Li4 | Li15 | Li12 | 0.00(11) | Li152 | Li5 | Li13 | Li61 | 171(6) | |
| Li42 | Li4 | Li15 | I1 | 6(21) | Li152 | Li5 | Li13 | Li108 | 85(8) | |
| Li42 | Li4 | Li15 | S13 | 9(13) | Li152 | Li5 | Li13 | Li119 | 10(9) | |
| Li42 | Li4 | Li15 | S21 | -104(14) | Li152 | Li5 | Li13 | Li12 | -51(5) | |
| Li42 | Li4 | Li15 | S3 | 105(14) | Li152 | Li5 | Li13 | I19 | 95(4) | |
| Li4 | Li5 | Li13 | Li2 | -26(10) | Li152 | Li5 | Li13 | S23 | -4(4) | |
| Li42 | Li5 | Li13 | Li2 | -77(8) | Li152 | Li5 | Li13 | S3 | -109(4) | |
| Li4 | Li5 | Li13 | Li42 | 51(4) | Li152 | Li5 | Li13 | S68 | 174(13) | |
| Li42 | Li5 | Li13 | Li4 | -51(4) | I19 | Li5 | Li13 | Li2 | 162(6) | |
| Li4 | Li5 | Li13 | Li61 | -112(7) | I19 | Li5 | Li13 | Li4 | -172(5) | |
| Li42 | Li5 | Li13 | Li61 | -163(6) | I19 | Li5 | Li13 | Li42 | -121(4) | |
| Li42 | Li5 | Li13 | Li108 | 111(6) | I19 | Li5 | Li13 | Li61 | 76(3) | |
| Li4 | Li5 | Li13 | Li108 | 162(3) | I19 | Li5 | Li13 | Li108 | -10(7) | |
| Li42 | Li5 | Li13 | Li119 | 35(8) | I19 | Li5 | Li13 | Li119 | -86(6) | |
| Li4 | Li5 | Li13 | Li119 | 86(7) | I19 | Li5 | Li13 | Li12 | -147(5) | |
| Li4 | Li5 | Li13 | Li12 | 25.2(19) | I19 | Li5 | Li13 | S23 | -99.6(9) | |
| Li42 | Li5 | Li13 | Li12 | -26(3) | I19 | Li5 | Li13 | S3 | 155.7(13) | |
| Li42 | Li5 | Li13 | I19 | 121(4) | I19 | Li5 | Li13 | S68 | 78(16) | |
| Li4 | Li5 | Li13 | I19 | 172(5) | S13 | Li4 | Li12 | Li52 | 63.3(8) | |
| Li42 | Li5 | Li13 | S23 | 21(4) | S13 | Li4 | Li12 | Li5 | -116.7(8) | |
| Li4 | Li5 | Li13 | S23 | 72(5) | S11 | Li4 | Li12 | Li52 | -116.7(8) | |
| Li4 | Li5 | Li13 | S3 | -32(5) | S11 | Li4 | Li12 | Li5 | 63.3(8) | |
| Li42 | Li5 | Li13 | S3 | -83(4) | S11 | Li4 | Li12 | Li15 | -170(14) | |
| Li4 | Li5 | Li13 | S68 | -110(16) | S13 | Li4 | Li12 | Li15 | 10(14) | |
| Li42 | Li5 | Li13 | S68 | -161(13) | S13 | Li4 | Li12 | S11 | 180.000(7) | |
| Li52 | Li4 | Li12 | Li5 | 180.001(6) | S11 | Li4 | Li12 | S13 | 180.000(7) | |
| Li5 | Li4 | Li12 | Li52 | 179.999(5) | S13 | Li4 | Li12 | S23 | -72.5(14) | |
| Li5 | Li4 | Li12 | Li15 | 126(14) | S11 | Li4 | Li12 | S23 | 107.5(14) | |
| Li52 | Li4 | Li12 | Li15 | -54(14) | S11 | Li4 | Li12 | S21 | -72.5(14) | |
| Li5 | Li4 | Li12 | S13 | 116.7(8) | S13 | Li4 | Li12 | S21 | 107.5(14) | |
| Li52 | Li4 | Li12 | S11 | 116.7(8) | S13 | Li4 | Li12 | S3 | -89.2(13) | |
| Li52 | Li4 | Li12 | S13 | -63.3(8) | S11 | Li4 | Li12 | S32 | -89.2(13) | |
| Li5 | Li4 | Li12 | S11 | -63.3(8) | S11 | Li4 | Li12 | S3 | 90.8(13) | |
| Li5 | Li4 | Li12 | S23 | 44.2(15) | S13 | Li4 | Li12 | S32 | 90.8(13) | |
| Li5 | Li4 | Li12 | S21 | -135.8(15) | S11 | Li4 | Li15 | Li1 | -141(3) | |
| Li52 | Li4 | Li12 | S23 | -135.8(15) | S13 | Li4 | Li15 | Li1 | 42(2) | |
| Li52 | Li4 | Li12 | S21 | 44.2(15) | S11 | Li4 | Li15 | Li42 | 168(17) | |
| Li5 | Li4 | Li12 | S32 | -152.5(16) | S13 | Li4 | Li15 | Li42 | -9(13) | |
| Li5 | Li4 | Li12 | S3 | 27.5(16) | S11 | Li4 | Li15 | Li52 | 117(4) | |
| Li52 | Li4 | Li12 | S3 | -152.5(16) | S13 | Li4 | Li15 | Li52 | -59.8(12) | |
| Li52 | Li4 | Li12 | S32 | 27.5(16) | S13 | Li4 | Li15 | Li6 | -158(2) | |
| Li52 | Li4 | Li15 | Li1 | 102(2) | S11 | Li4 | Li15 | Li6 | 19(6) | |
| Li5 | Li4 | Li15 | Li1 | -68(4) | S11 | Li4 | Li15 | Li71 | -8(12) | |
| Li52 | Li4 | Li15 | Li42 | 51(13) | S13 | Li4 | Li15 | Li71 | 174(8) | |
| Li5 | Li4 | Li15 | Li42 | -119(15) | S13 | Li4 | Li15 | Li12 | -9(13) | |
| Li5 | Li4 | Li15 | Li52 | -170(3) | S11 | Li4 | Li15 | Li12 | 168(17) | |
| Li52 | Li4 | Li15 | Li6 | -98(3) | S11 | Li4 | Li15 | I1 | 174(5) | |
| Li5 | Li4 | Li15 | Li6 | 92(4) | S13 | Li4 | Li15 | I1 | -3(8) | |
| Li5 | Li4 | Li15 | Li71 | 64(10) | S11 | Li4 | Li15 | S13 | 177(4) | |
| Li52 | Li4 | Li15 | Li71 | -126(8) | S13 | Li4 | Li15 | S21 | -113.7(14) | |
| Li52 | Li4 | Li15 | Li12 | 51(13) | S11 | Li4 | Li15 | S21 | 64(4) | |
| Li5 | Li4 | Li15 | Li12 | -119(15) | S11 | Li4 | Li15 | S3 | -87(4) | |
| Li5 | Li4 | Li15 | I1 | -113(7) | S13 | Li4 | Li15 | S3 | 95.9(14) | |
| Li52 | Li4 | Li15 | I1 | 57(8) | S21 | Li4 | Li12 | Li5 | 135.8(15) | |
| Li52 | Li4 | Li15 | S13 | 59.8(12) | S21 | Li4 | Li12 | Li52 | -44.2(15) | |
| Li5 | Li4 | Li15 | S13 | -110(3) | S21 | Li4 | Li12 | Li15 | -98(14) | |
| Li52 | Li4 | Li15 | S21 | -53.8(19) | S21 | Li4 | Li12 | S13 | -107.5(14) | |
| Li5 | Li4 | Li15 | S21 | 136(2) | S21 | Li4 | Li12 | S11 | 72.5(14) | |
| Li52 | Li4 | Li15 | S3 | 155.7(14) | S21 | Li4 | Li12 | S23 | 180.0 | |
| Li5 | Li4 | Li15 | S3 | -14(4) | S21 | Li4 | Li12 | S32 | -17(3) | |
| Li61 | Li5 | Li13 | Li2 | 86(7) | S21 | Li4 | Li12 | S3 | 163(3) | |
| Li61 | Li5 | Li13 | Li42 | 163(6) | S21 | Li4 | Li15 | Li1 | 156(3) | |
| Li61 | Li5 | Li13 | Li4 | 112(7) | S21 | Li4 | Li15 | Li42 | 104(14) | |
| Li61 | Li5 | Li13 | Li108 | -86(7) | S21 | Li4 | Li15 | Li52 | 53.8(19) | |
| Li61 | Li5 | Li13 | Li119 | -162(4) | S21 | Li4 | Li15 | Li6 | -45(2) | |
| Li61 | Li5 | Li13 | Li12 | 137(7) | S21 | Li4 | Li15 | Li71 | -72(8) | |
| Li61 | Li5 | Li13 | I19 | -76(3) | S21 | Li4 | Li15 | Li12 | 104(14) | |
| Li61 | Li5 | Li13 | S23 | -176(3) | S21 | Li4 | Li15 | I1 | 111(8) | |
| Li61 | Li5 | Li13 | S3 | 80(3) | S21 | Li4 | Li15 | S13 | 113.7(14) | |
| Li61 | Li5 | Li13 | S68 | 2(19) | S21 | Li4 | Li15 | S3 | -150(2) | |
| Li71 | Li4 | Li15 | Li1 | -132(10) | S23 | Li5 | Li13 | Li2 | -99(6) | |
| Li71 | Li4 | Li15 | Li42 | 176(8) | S23 | Li5 | Li13 | Li4 | -72(5) | |
| Li71 | Li4 | Li15 | Li52 | 126(8) | S23 | Li5 | Li13 | Li42 | -21(4) | |
| Li71 | Li4 | Li15 | Li6 | 27(7) | S23 | Li5 | Li13 | Li61 | 176(3) | |
| Li71 | Li4 | Li15 | Li12 | 176(8) | S23 | Li5 | Li13 | Li108 | 90(6) | |
| Li71 | Li4 | Li15 | I1 | -177(16) | S23 | Li5 | Li13 | Li119 | 14(5) | |
| Li71 | Li4 | Li15 | S13 | -174(8) | S23 | Li5 | Li13 | Li12 | -47(5) | |
| Li71 | Li4 | Li15 | S21 | 72(8) | S23 | Li5 | Li13 | I19 | 99.6(9) | |
| Li71 | Li4 | Li15 | S3 | -79(8) | S23 | Li5 | Li13 | S3 | -104.6(10) | |
| Li7 | Li5 | Li13 | Li2 | 87(7) | S23 | Li5 | Li13 | S68 | 178(17) | |
| Li7 | Li5 | Li13 | Li42 | 165(7) | S3 | Li4 | Li12 | Li52 | 152.5(16) | |
| Li7 | Li5 | Li13 | Li4 | 114(7) | S3 | Li4 | Li12 | Li5 | -27.5(16) | |
| Li7 | Li5 | Li13 | Li61 | 2(2) | S3 | Li4 | Li12 | Li15 | 99(14) | |
| Li7 | Li5 | Li13 | Li108 | -84(8) | S3 | Li4 | Li12 | S11 | -90.8(13) | |
| Li7 | Li5 | Li13 | Li119 | -160(3) | S3 | Li4 | Li12 | S13 | 89.2(13) | |
| Li7 | Li5 | Li13 | Li12 | 139(8) | S3 | Li4 | Li12 | S23 | 17(3) | |
| Li7 | Li5 | Li13 | I19 | -74(4) | S3 | Li4 | Li12 | S21 | -163(3) | |
| Li7 | Li5 | Li13 | S23 | -174(4) | S3 | Li4 | Li12 | S32 | 180.0 | |
| Li7 | Li5 | Li13 | S3 | 82(4) | S3 | Li4 | Li15 | Li1 | -53.7(16) | |
| Li7 | Li5 | Li13 | S68 | 4(20) | S3 | Li4 | Li15 | Li42 | -105(14) | |
| Li84 | Li8 | Li14 | Li15 | -54(19) | S3 | Li4 | Li15 | Li52 | -155.7(14) | |
| Li84 | Li8 | Li14 | Li96 | 50(16) | S3 | Li4 | Li15 | Li6 | 106(3) | |
| Li84 | Li8 | Li14 | Li104 | 153(11) | S3 | Li4 | Li15 | Li71 | 79(8) | |
| Li84 | Li8 | Li14 | Li137 | 85(17) | S3 | Li4 | Li15 | Li12 | -105(14) | |
| Li84 | Li8 | Li14 | I15 | 25(30) | S3 | Li4 | Li15 | I1 | -99(8) | |
| Li84 | Li8 | Li14 | S5 | -9(17) | S3 | Li4 | Li15 | S13 | -95.9(14) | |
| Li84 | Li8 | Li14 | S64 | 103(16) | S3 | Li4 | Li15 | S21 | 150(2) | |
| Li84 | Li8 | Li14 | S75 | -116(15) | S3 | Li5 | Li13 | Li2 | 6(6) | |
| Li96 | Li8 | Li14 | Li15 | -104(5) | S3 | Li5 | Li13 | Li4 | 32(5) | |
| Li95 | Li8 | Li14 | Li15 | 70(6) | S3 | Li5 | Li13 | Li42 | 83(4) | |
| Li95 | Li8 | Li14 | Li84 | 124(17) | S3 | Li5 | Li13 | Li61 | -80(3) | |
| Li96 | Li8 | Li14 | Li84 | -50(16) | S3 | Li5 | Li13 | Li108 | -166(6) | |
| Li95 | Li8 | Li14 | Li96 | 174(2) | S3 | Li5 | Li13 | Li119 | 119(6) | |
| Li96 | Li8 | Li14 | Li104 | 104(10) | S3 | Li5 | Li13 | Li12 | 57(5) | |
| Li95 | Li8 | Li14 | Li104 | -83(11) | S3 | Li5 | Li13 | I19 | -155.7(13) | |
| Li96 | Li8 | Li14 | Li137 | 35(5) | S3 | Li5 | Li13 | S23 | 104.6(10) | |
| Li95 | Li8 | Li14 | Li137 | -151(3) | S3 | Li5 | Li13 | S68 | -77(16) | |
| Li96 | Li8 | Li14 | I15 | -24(16) | S54 | Li8 | Li14 | Li15 | 136(4) | |
| Li95 | Li8 | Li14 | I15 | 149(14) | S5 | Li8 | Li14 | Li15 | -46(4) | |
| Li95 | Li8 | Li14 | S5 | 115(2) | S54 | Li8 | Li14 | Li84 | -169(20) | |
| Li96 | Li8 | Li14 | S5 | -58.4(12) | S5 | Li8 | Li14 | Li84 | 9(17) | |
| Li95 | Li8 | Li14 | S64 | -133.2(17) | S5 | Li8 | Li14 | Li96 | 58.4(12) | |
| Li96 | Li8 | Li14 | S64 | 53.2(17) | S54 | Li8 | Li14 | Li96 | -120(4) | |
| Li95 | Li8 | Li14 | S75 | 8(5) | S5 | Li8 | Li14 | Li104 | 162(11) | |
| Li96 | Li8 | Li14 | S75 | -166(3) | S54 | Li8 | Li14 | Li104 | -16(14) | |
| Li104 | Li8 | Li14 | Li15 | 153(15) | S5 | Li8 | Li14 | Li137 | 94(5) | |
| Li104 | Li8 | Li14 | Li84 | -153(11) | S54 | Li8 | Li14 | Li137 | -84(6) | |
| Li104 | Li8 | Li14 | Li96 | -104(10) | S5 | Li8 | Li14 | I15 | 34(15) | |
| Li104 | Li8 | Li14 | Li137 | -68(10) | S54 | Li8 | Li14 | I15 | -144(12) | |
| Li104 | Li8 | Li14 | I15 | -128(23) | S54 | Li8 | Li14 | S5 | -178(3) | |
| Li104 | Li8 | Li14 | S5 | -162(11) | S5 | Li8 | Li14 | S64 | 111.6(19) | |
| Li104 | Li8 | Li14 | S64 | -50(9) | S54 | Li8 | Li14 | S64 | -67(5) | |
| Li104 | Li8 | Li14 | S75 | 91(11) | S54 | Li8 | Li14 | S75 | 74(5) | |
| Li114 | Li8 | Li14 | Li15 | 85(5) | S5 | Li8 | Li14 | S75 | -107(3) | |
| Li114 | Li8 | Li14 | Li84 | 139(17) | S64 | Li8 | Li14 | Li15 | -157(6) | |
| Li114 | Li8 | Li14 | Li96 | -171(2) | S64 | Li8 | Li14 | Li84 | -103(16) | |
| Li114 | Li8 | Li14 | Li104 | -68(11) | S64 | Li8 | Li14 | Li96 | -53.2(17) | |
| Li114 | Li8 | Li14 | Li137 | -136(4) | S64 | Li8 | Li14 | Li104 | 50(9) | |
| Li114 | Li8 | Li14 | I15 | 164(14) | S64 | Li8 | Li14 | Li137 | -18(3) | |
| Li114 | Li8 | Li14 | S5 | 130.5(15) | S64 | Li8 | Li14 | I15 | -78(15) | |
| Li114 | Li8 | Li14 | S64 | -117.9(17) | S64 | Li8 | Li14 | S5 | -111.6(19) | |
| Li114 | Li8 | Li14 | S75 | 23(4) | S64 | Li8 | Li14 | S75 | 141(4) | |
| Li12 | Li4 | Li15 | Li1 | 51(15) | S75 | Li8 | Li14 | Li15 | 62(4) | |
| Li12 | Li4 | Li15 | Li42 | 0.00(9) | S75 | Li8 | Li14 | Li84 | 116(15) | |
| Li12 | Li4 | Li15 | Li52 | -51(13) | S75 | Li8 | Li14 | Li96 | 166(3) | |
| Li12 | Li4 | Li15 | Li6 | -149(12) | S75 | Li8 | Li14 | Li104 | -91(11) | |
| Li12 | Li4 | Li15 | Li71 | -176(8) | S75 | Li8 | Li14 | Li137 | -159(7) | |
| Li12 | Li4 | Li15 | I1 | 6(21) | S75 | Li8 | Li14 | I15 | 141(18) | |
| Li12 | Li4 | Li15 | S13 | 9(13) | S75 | Li8 | Li14 | S5 | 107(3) | |
| Li12 | Li4 | Li15 | S21 | -104(14) | S75 | Li8 | Li14 | S64 | -141(4) |
| Atom | Occupancy | Atom | Occupancy | Atom | Occupancy | ||
|---|---|---|---|---|---|---|---|
| Li3 | 0.96(3) | Li4 | 0.33(2) | Li5 | 0.37(3) | ||
| Li6 | 0.30(3) | Li7 | 0.47(3) | Li8 | 0.47(3) | ||
| Li9 | 0.48(3) | Li10 | 0.48(3) | Li11 | 0.52(3) | ||
| Li12 | 0.14(3) | Li13 | 0.28(2) | Li14 | 0.09(3) | ||
| Li15 | 0.18(2) |
Experimental
Single crystals of ILi7S7Si2 [Li7Si2S7I_330K] were [?]. A suitable crystal was selected and [] on a dectris-CrysAlisPro-abstract goniometer imported dectris images diffractometer. The crystal was kept at 330.0 K during data collection. Using Olex2 [1], the structure was solved with the SHELXT [2] structure solution program using Intrinsic Phasing and refined with the SHELXL [3] refinement package using Least Squares minimisation.
Crystal structure determination of [Li7Si2S7I_330K]
Crystal Data for ILi7S7Si2 (M =456.08 g/mol): monoclinic, space group P21/n (no. 14), a = 14.9844(4) Å, b = 6.05530(10) Å, c = 15.1935(4) Å, β = 105.724(3)°, V = 1326.99(6) Å3, Z = 4, T = 330.0 K, μ(synchrotron) = 3.367 mm-1, Dcalc = 2.283 g/cm3, 16716 reflections measured (3.282° ≤ 2Θ ≤ 51.006°), 2718 unique (Rint = 0.0477, Rsigma = 0.0232) which were used in all calculations. The final R1 was 0.0359 (I > 2σ(I)) and wR2 was 0.1096 (all data).
Refinement model description
Number of restraints - 71, number of constraints - unknown.
Details:
1. Uiso/Uaniso restraints and constraints
Uanis(Li8) ≈ Ueq, Uanis(Li12) ≈ Ueq, Uanis(Li14) ≈ Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
2. Rigid body (RIGU) restrains
Li4, Li5, Li12, Li13, Li6, Li15, S2, S3
with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Others
1*[Sof(Li3)]+1*[Sof(Li4)]+1*[Sof(Li5)]+1*[Sof(Li6)]+1*[Sof(Li7)]+1*[Sof(Li8)]+
1*[Sof(Li10)]+1*[Sof(Li12)]+1*[Sof(Li13)]+1*[Sof(Li14)]+1*[Sof(Li15)]=4 with
esd of 0.001
1*[Sof(Li9)]+1*[Sof(Li11)]=1 with esd of 0.001
This report has been created with Olex2, compiled on 2022.04.07 svn.rca3783a0 for OlexSys. Please let us know if there are any errors or if you would like to have additional features.