| Identification code | MJR_RA_553_500K |
| Empirical formula | ILi7S7Si2 |
| Formula weight | 456.08 |
| Temperature/K | 500.0 |
| Crystal system | monoclinic |
| Space group | P21/n |
| a/Å | 14.9817(2) |
| b/Å | 6.05780(10) |
| c/Å | 15.1891(2) |
| α/° | 90 |
| β/° | 105.7390(10) |
| γ/° | 90 |
| Volume/Å3 | 1326.82(3) |
| Z | 4 |
| ρcalcg/cm3 | 2.283 |
| μ/mm‑1 | 3.368 |
| 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 72.382 |
| Index ranges | -25 ≤ h ≤ 25, -9 ≤ k ≤ 10, -25 ≤ l ≤ 25 |
| Reflections collected | 26423 |
| Independent reflections | 6367 [Rint = 0.0684, Rsigma = 0.0604] |
| Data/restraints/parameters | 6367/59/237 |
| Goodness-of-fit on F2 | 1.063 |
| Final R indexes [I>=2σ (I)] | R1 = 0.0370, wR2 = 0.0945 |
| Final R indexes [all data] | R1 = 0.0472, wR2 = 0.1030 |
| Largest diff. peak/hole / e Å-3 | 1.49/-1.11 |
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| Si1 | 5848.5(3) | 3482.2(7) | 3913.9(3) | 25.85(10) |
| Si2 | 5801.4(3) | 3546.2(7) | 1506.8(3) | 25.17(10) |
| Li1 | 4969(3) | 9277(7) | 2473(3) | 58.3(10) |
| Li2 | 6891(4) | 7601(9) | 3037(4) | 71(2) |
| Li3 | 3459(6) | 2763(10) | 2132(5) | 70.5(18) |
| Li4 | 4710(10) | 8760(30) | 4602(11) | 69(3) |
| Li5 | 6714(13) | 8100(30) | 5335(11) | 67(4) |
| Li6 | 3368(11) | 3510(30) | 4511(11) | 64(4) |
| Li7 | 5934(7) | 3887(19) | 6194(6) | 65(3) |
| Li8 | 4848(9) | -800(20) | 225(8) | 96(5) |
| Li9 | 6808(8) | 7950(30) | 536(9) | 68(4) |
| Li10 | 5853(7) | 3680(20) | -759(6) | 63(3) |
| Li11 | 3253(10) | 3370(40) | -339(12) | 68(5) |
| Li12 | 5000 | 10000 | 5000 | 71(6) |
| Li13 | 7010(20) | 8310(50) | 5066(16) | 65(6) |
| Li14 | 4330(30) | -1730(50) | 720(30) | 73(10) |
| Li15 | 4300(20) | 8050(50) | 3950(20) | 74(4) |
| I1 | 3122.0(2) | 7429.1(2) | 1963.1(2) | 37.30(6) |
| S1 | 4526.5(4) | 2058.0(8) | 3662.1(4) | 34.01(10) |
| S2 | 6780.9(4) | 2413.6(7) | 5135.0(4) | 36.27(12) |
| S3 | 5743.6(4) | 6927.0(8) | 3886.1(3) | 35.60(11) |
| S4 | 6511.0(4) | 2305.3(7) | 2876.8(3) | 27.90(9) |
| S5 | 4461.7(4) | 2189.5(7) | 1102.6(4) | 31.75(10) |
| S6 | 6655.6(4) | 2359.0(7) | 723.3(4) | 34.22(11) |
| S7 | 5819.5(4) | 7000.9(7) | 1513.5(3) | 32.91(10) |
| Atom | U11 | U22 | U33 | U23 | U13 | U12 |
|---|---|---|---|---|---|---|
| Si1 | 27.6(2) | 24.7(2) | 24.6(2) | -0.80(15) | 6.02(16) | -0.74(16) |
| Si2 | 27.5(2) | 23.3(2) | 24.4(2) | 0.05(14) | 6.46(16) | -1.12(15) |
| Li1 | 58(3) | 56(2) | 60(2) | 1(2) | 14.3(19) | 2(2) |
| Li2 | 41(4) | 114(7) | 54(4) | 0(2) | 6(3) | -16(2) |
| Li3 | 64(4) | 85(4) | 67(4) | 18(3) | 25(3) | 24(3) |
| Li4 | 72(7) | 79(7) | 67(8) | 26(6) | 37(5) | 2(6) |
| Li5 | 77(7) | 80(10) | 38(7) | 6(7) | 8(5) | -6(8) |
| Li6 | 48(7) | 60(7) | 58(8) | -34(6) | -28(6) | 13(5) |
| Li7 | 64(6) | 85(7) | 51(5) | 9(5) | 28(4) | 33(6) |
| Li8 | 99(9) | 97(9) | 69(7) | -32(7) | -14(6) | 38(8) |
| Li9 | 50(6) | 89(10) | 71(7) | 5(7) | 24(5) | 2(6) |
| Li10 | 57(6) | 83(7) | 45(4) | 5(4) | 7(4) | 13(5) |
| Li11 | 56(7) | 82(11) | 75(9) | 31(8) | 35(6) | 12(7) |
| Li12 | 87(9) | 70(9) | 61(11) | 35(8) | 28(8) | 4(6) |
| Li13 | 68(7) | 89(15) | 29(8) | 11(9) | -2(6) | -4(8) |
| Li14 | 110(30) | 39(15) | 80(20) | 2(14) | 40(20) | 8(15) |
| Li15 | 61(7) | 78(10) | 84(9) | 8(7) | 20(7) | 44(7) |
| I1 | 32.71(10) | 38.28(9) | 39.89(9) | -1.43(4) | 8.10(7) | -1.72(4) |
| S1 | 29.3(2) | 34.7(2) | 38.2(2) | -0.53(18) | 9.45(18) | -4.40(17) |
| S2 | 33.5(3) | 47.5(3) | 25.5(2) | 1.76(15) | 3.86(19) | 5.79(17) |
| S3 | 43.3(3) | 24.87(19) | 39.0(2) | -2.88(17) | 11.8(2) | -0.43(18) |
| S4 | 28.5(2) | 30.0(2) | 24.50(19) | 0.52(13) | 5.99(16) | 4.11(14) |
| S5 | 27.4(2) | 32.7(2) | 32.8(2) | -1.96(15) | 4.23(17) | -3.94(16) |
| S6 | 34.3(3) | 40.9(3) | 28.9(2) | -1.64(15) | 11.3(2) | 3.71(16) |
| S7 | 39.8(3) | 23.60(18) | 34.8(2) | 1.51(15) | 9.18(19) | -1.51(16) |
| Atom | Atom | Length/Å | Atom | Atom | Length/Å | |
|---|---|---|---|---|---|---|
| Si1 | S1 | 2.0982(7) | Li6 | S32 | 2.452(15) | |
| Si1 | S2 | 2.0988(7) | Li7 | Li126 | 3.068(12) | |
| Si1 | S3 | 2.0923(6) | Li7 | Li152 | 1.23(4) | |
| Si1 | S4 | 2.1961(6) | Li7 | I12 | 2.885(9) | |
| Si2 | S4 | 2.1965(6) | Li7 | S12 | 2.577(11) | |
| Si2 | S5 | 2.1006(7) | Li7 | S2 | 2.470(8) | |
| Si2 | S6 | 2.0970(7) | Li7 | S32 | 2.532(11) | |
| Si2 | S7 | 2.0929(6) | Li8 | Li89 | 1.33(3) | |
| Li1 | Li2 | 2.952(7) | Li8 | Li96 | 2.944(18) | |
| Li1 | Li31 | 3.035(8) | Li8 | Li93 | 2.984(19) | |
| Li1 | Li72 | 3.331(11) | Li8 | Li109 | 2.30(2) | |
| Li1 | Li103 | 3.125(11) | Li8 | Li119 | 3.21(2) | |
| Li1 | Li141 | 2.64(4) | Li8 | Li149 | 2.63(5) | |
| Li1 | Li15 | 2.80(4) | Li8 | Li14 | 1.35(4) | |
| Li1 | I1 | 2.890(4) | Li8 | S59 | 2.641(13) | |
| Li1 | S11 | 2.682(5) | Li8 | S5 | 2.410(12) | |
| Li1 | S3 | 2.575(4) | Li8 | S69 | 2.506(13) | |
| Li1 | S41 | 2.882(5) | Li8 | S76 | 2.486(12) | |
| Li1 | S51 | 2.677(5) | Li9 | Li10 | 3.33(2) | |
| Li1 | S7 | 2.580(5) | Li9 | Li113 | 0.854(18) | |
| Li2 | S3 | 2.447(6) | Li9 | Li143 | 3.17(4) | |
| Li2 | S41 | 2.904(6) | Li9 | S24 | 2.605(12) | |
| Li2 | S64 | 2.467(5) | Li9 | S44 | 3.003(13) | |
| Li2 | S7 | 2.459(5) | Li9 | S53 | 2.693(13) | |
| Li3 | Li72 | 3.187(14) | Li9 | S61 | 2.700(19) | |
| Li3 | Li103 | 3.350(13) | Li9 | S7 | 2.434(12) | |
| Li3 | I15 | 3.050(8) | Li10 | Li113 | 2.56(3) | |
| Li3 | I16 | 3.269(7) | Li10 | Li1310 | 3.09(3) | |
| Li3 | I1 | 2.871(6) | Li10 | Li149 | 1.21(4) | |
| Li3 | S1 | 2.475(8) | Li10 | I13 | 2.771(10) | |
| Li3 | S5 | 2.469(7) | Li10 | S53 | 2.573(12) | |
| Li4 | Li47 | 1.98(4) | Li10 | S6 | 2.385(9) | |
| Li4 | Li57 | 2.88(2) | Li10 | S73 | 2.491(10) | |
| Li4 | Li5 | 2.93(2) | Li11 | Li1311 | 2.92(3) | |
| Li4 | Li72 | 2.08(2) | Li11 | S212 | 2.544(13) | |
| Li4 | Li12 | 0.988(19) | Li11 | S5 | 2.537(15) | |
| Li4 | Li15 | 1.10(4) | Li11 | S63 | 2.66(2) | |
| Li4 | Li157 | 3.00(5) | Li11 | S73 | 2.551(15) | |
| Li4 | S11 | 2.427(13) | Li12 | Li157 | 2.03(4) | |
| Li4 | S12 | 2.621(16) | Li12 | Li15 | 2.03(4) | |
| Li4 | S22 | 2.477(13) | Li12 | S11 | 2.3249(5) | |
| Li4 | S3 | 2.394(14) | Li12 | S12 | 2.3249(5) | |
| Li5 | Li62 | 1.02(3) | Li12 | S21 | 3.0004(6) | |
| Li5 | Li7 | 3.23(2) | Li12 | S22 | 3.0004(6) | |
| Li5 | Li118 | 3.49(3) | Li12 | S37 | 2.9312(5) | |
| Li5 | Li12 | 2.73(2) | Li12 | S3 | 2.9312(5) | |
| Li5 | Li13 | 0.69(3) | Li13 | I18 | 2.94(2) | |
| Li5 | Li157 | 3.13(3) | Li13 | S21 | 2.52(3) | |
| Li5 | I18 | 2.800(17) | Li13 | S3 | 2.38(3) | |
| Li5 | S12 | 2.71(2) | Li13 | S64 | 2.66(3) | |
| Li5 | S21 | 2.63(2) | Li14 | I16 | 2.99(4) | |
| Li5 | S3 | 2.393(17) | Li14 | S5 | 2.44(3) | |
| Li6 | Li72 | 2.31(3) | Li14 | S69 | 2.32(4) | |
| Li6 | Li126 | 3.171(15) | Li14 | S76 | 2.36(4) | |
| Li6 | Li132 | 1.46(4) | Li15 | I1 | 3.08(4) | |
| Li6 | Li15 | 3.30(4) | Li15 | S11 | 2.51(3) | |
| Li6 | I15 | 2.777(12) | Li15 | S22 | 2.42(3) | |
| Li6 | S1 | 2.580(18) | Li15 | S3 | 2.30(3) | |
| Li6 | S22 | 2.553(16) |
| Atom | Atom | Atom | Angle/˚ | Atom | Atom | Atom | Angle/˚ | |
|---|---|---|---|---|---|---|---|---|
| S1 | Si1 | S2 | 113.79(3) | Li103 | Li11 | Li89 | 90.2(6) | |
| S1 | Si1 | S4 | 108.89(3) | Li103 | Li11 | Li1311 | 68.4(8) | |
| S2 | Si1 | S4 | 102.23(3) | Li103 | Li11 | S63 | 54.3(5) | |
| S3 | Si1 | S1 | 110.15(3) | Li1311 | Li11 | Si23 | 96.9(9) | |
| S3 | Si1 | S2 | 110.72(3) | Li1311 | Li11 | Li511 | 6.8(8) | |
| S3 | Si1 | S4 | 110.82(3) | Li1311 | Li11 | Li8 | 153.9(8) | |
| S5 | Si2 | S4 | 108.76(3) | Li1311 | Li11 | Li89 | 158.6(10) | |
| S6 | Si2 | S4 | 101.96(3) | S212 | Li11 | Si23 | 145.5(6) | |
| S6 | Si2 | S5 | 112.44(3) | S212 | Li11 | Li511 | 48.7(4) | |
| S7 | Si2 | S4 | 109.59(2) | S212 | Li11 | Li89 | 135.9(7) | |
| S7 | Si2 | S5 | 113.75(3) | S212 | Li11 | Li8 | 113.0(6) | |
| S7 | Si2 | S6 | 109.67(3) | S212 | Li11 | Li103 | 106.6(8) | |
| Li2 | Li1 | Li31 | 155.8(3) | S212 | Li11 | Li1311 | 54.4(7) | |
| Li2 | Li1 | Li72 | 98.7(2) | S212 | Li11 | S63 | 110.1(7) | |
| Li2 | Li1 | Li103 | 100.2(2) | S212 | Li11 | S73 | 149.3(10) | |
| Li31 | Li1 | Li72 | 95.6(2) | S5 | Li11 | Si23 | 109.1(6) | |
| Li31 | Li1 | Li103 | 98.6(3) | S5 | Li11 | Li511 | 107.0(7) | |
| Li103 | Li1 | Li72 | 92.5(3) | S5 | Li11 | Li8 | 44.7(3) | |
| Li141 | Li1 | Li2 | 105.8(8) | S5 | Li11 | Li89 | 53.2(3) | |
| Li141 | Li1 | Li31 | 86.5(8) | S5 | Li11 | Li103 | 60.6(5) | |
| Li141 | Li1 | Li72 | 112.4(9) | S5 | Li11 | Li1311 | 111.1(9) | |
| Li141 | Li1 | Li103 | 22.4(8) | S5 | Li11 | S212 | 100.0(5) | |
| Li141 | Li1 | Li15 | 129.4(12) | S5 | Li11 | S63 | 113.4(9) | |
| Li141 | Li1 | I1 | 65.2(9) | S5 | Li11 | S73 | 100.5(5) | |
| Li141 | Li1 | S11 | 137.3(8) | S63 | Li11 | Si23 | 41.1(2) | |
| Li141 | Li1 | S41 | 114.4(9) | S63 | Li11 | Li511 | 63.1(6) | |
| Li141 | Li1 | S51 | 54.6(7) | S63 | Li11 | Li8 | 134.3(6) | |
| Li15 | Li1 | Li2 | 102.1(6) | S63 | Li11 | Li89 | 112.7(6) | |
| Li15 | Li1 | Li31 | 84.7(5) | S63 | Li11 | Li1311 | 56.7(8) | |
| Li15 | Li1 | Li72 | 20.9(7) | S73 | Li11 | Si23 | 41.28(19) | |
| Li15 | Li1 | Li103 | 111.7(8) | S73 | Li11 | Li511 | 141.9(7) | |
| Li15 | Li1 | I1 | 65.6(8) | S73 | Li11 | Li89 | 49.6(4) | |
| Li15 | Li1 | S41 | 116.1(8) | S73 | Li11 | Li8 | 68.5(5) | |
| I1 | Li1 | Li2 | 137.07(19) | S73 | Li11 | Li103 | 103.3(6) | |
| I1 | Li1 | Li31 | 66.93(19) | S73 | Li11 | Li1311 | 135.1(8) | |
| I1 | Li1 | Li72 | 54.7(2) | S73 | Li11 | S63 | 82.1(4) | |
| I1 | Li1 | Li103 | 54.7(2) | Li47 | Li12 | Li4 | 180.0 | |
| S11 | Li1 | Li2 | 114.88(19) | Li4 | Li12 | Li57 | 88.3(9) | |
| S11 | Li1 | Li31 | 50.86(17) | Li47 | Li12 | Li5 | 88.3(9) | |
| S11 | Li1 | Li72 | 74.7(2) | Li4 | Li12 | Li5 | 91.7(9) | |
| S11 | Li1 | Li103 | 143.9(2) | Li47 | Li12 | Li57 | 91.7(9) | |
| S11 | Li1 | Li15 | 54.4(6) | Li47 | Li12 | Li157 | 14.1(12) | |
| S11 | Li1 | I1 | 91.72(13) | Li4 | Li12 | Li157 | 165.9(12) | |
| S11 | Li1 | S41 | 77.71(12) | Li4 | Li12 | Li15 | 14.1(12) | |
| S3 | Li1 | Li2 | 52.02(13) | Li47 | Li12 | Li15 | 165.9(12) | |
| S3 | Li1 | Li31 | 132.3(2) | Li47 | Li12 | S11 | 96.1(8) | |
| S3 | Li1 | Li72 | 48.73(18) | Li47 | Li12 | S12 | 83.9(8) | |
| S3 | Li1 | Li103 | 111.4(2) | Li4 | Li12 | S12 | 96.1(8) | |
| S3 | Li1 | Li141 | 132.0(7) | Li4 | Li12 | S11 | 83.9(8) | |
| S3 | Li1 | Li15 | 50.4(5) | Li47 | Li12 | S21 | 49.6(7) | |
| S3 | Li1 | I1 | 101.03(15) | Li4 | Li12 | S22 | 49.6(7) | |
| S3 | Li1 | S11 | 85.62(13) | Li47 | Li12 | S22 | 130.4(7) | |
| S3 | Li1 | S41 | 91.18(14) | Li4 | Li12 | S21 | 130.4(7) | |
| S3 | Li1 | S51 | 169.0(2) | Li47 | Li12 | S3 | 131.5(8) | |
| S3 | Li1 | S7 | 89.74(14) | Li4 | Li12 | S3 | 48.5(8) | |
| S41 | Li1 | Li2 | 59.67(14) | Li4 | Li12 | S37 | 131.5(8) | |
| S41 | Li1 | Li31 | 96.4(2) | Li47 | Li12 | S37 | 48.5(8) | |
| S41 | Li1 | Li72 | 132.2(2) | Li57 | Li12 | Li5 | 180.0 | |
| S41 | Li1 | Li103 | 130.9(2) | Li57 | Li12 | S21 | 125.5(4) | |
| S41 | Li1 | I1 | 163.25(17) | Li57 | Li12 | S22 | 54.5(4) | |
| S51 | Li1 | Li2 | 120.1(2) | Li5 | Li12 | S21 | 54.5(4) | |
| S51 | Li1 | Li31 | 50.75(15) | Li5 | Li12 | S22 | 125.5(4) | |
| S51 | Li1 | Li72 | 140.9(2) | Li57 | Li12 | S3 | 130.2(4) | |
| S51 | Li1 | Li103 | 76.4(2) | Li5 | Li12 | S3 | 49.8(4) | |
| S51 | Li1 | Li15 | 135.3(5) | Li57 | Li12 | S37 | 49.8(4) | |
| S51 | Li1 | I1 | 89.86(13) | Li5 | Li12 | S37 | 130.2(4) | |
| S51 | Li1 | S11 | 92.28(14) | Li157 | Li12 | Li57 | 99.3(8) | |
| S51 | Li1 | S41 | 77.78(12) | Li15 | Li12 | Li57 | 80.7(8) | |
| S7 | Li1 | Li2 | 52.25(13) | Li15 | Li12 | Li5 | 99.3(8) | |
| S7 | Li1 | Li31 | 137.3(2) | Li157 | Li12 | Li5 | 80.7(8) | |
| S7 | Li1 | Li72 | 112.3(2) | Li157 | Li12 | Li15 | 180.0 | |
| S7 | Li1 | Li103 | 50.7(2) | Li15 | Li12 | S12 | 110.1(9) | |
| S7 | Li1 | Li141 | 53.7(8) | Li157 | Li12 | S12 | 69.9(9) | |
| S7 | Li1 | Li15 | 130.6(6) | Li157 | Li12 | S11 | 110.1(9) | |
| S7 | Li1 | I1 | 103.02(15) | Li15 | Li12 | S11 | 69.9(9) | |
| S7 | Li1 | S11 | 165.15(19) | Li15 | Li12 | S21 | 126.7(9) | |
| S7 | Li1 | S41 | 88.31(13) | Li157 | Li12 | S21 | 53.3(9) | |
| S7 | Li1 | S51 | 89.59(14) | Li157 | Li12 | S22 | 126.7(9) | |
| S3 | Li2 | S41 | 93.32(19) | Li15 | Li12 | S22 | 53.3(9) | |
| S3 | Li2 | S64 | 100.8(2) | Li157 | Li12 | S37 | 51.3(7) | |
| S3 | Li2 | S7 | 95.67(18) | Li15 | Li12 | S37 | 128.7(7) | |
| S64 | Li2 | S41 | 103.56(17) | Li157 | Li12 | S3 | 128.7(7) | |
| S7 | Li2 | S41 | 90.19(17) | Li15 | Li12 | S3 | 51.3(7) | |
| S7 | Li2 | S64 | 157.7(3) | S11 | Li12 | Li57 | 64.1(4) | |
| Li15 | Li3 | Li72 | 105.6(3) | S11 | Li12 | Li5 | 115.9(4) | |
| Li15 | Li3 | Li103 | 102.3(3) | S12 | Li12 | Li5 | 64.1(4) | |
| Li15 | Li3 | I15 | 54.40(13) | S12 | Li12 | Li57 | 115.9(4) | |
| Li15 | Li3 | I16 | 120.7(2) | S12 | Li12 | S11 | 180.000(17) | |
| Li72 | Li3 | Li103 | 91.0(3) | S12 | Li12 | S21 | 98.438(17) | |
| Li72 | Li3 | I15 | 134.1(3) | S12 | Li12 | S22 | 81.562(17) | |
| I1 | Li3 | Li15 | 143.6(3) | S11 | Li12 | S21 | 81.562(17) | |
| I1 | Li3 | Li72 | 56.6(2) | S11 | Li12 | S22 | 98.438(17) | |
| I16 | Li3 | Li72 | 76.8(2) | S12 | Li12 | S3 | 95.182(16) | |
| I15 | Li3 | Li103 | 130.8(3) | S11 | Li12 | S37 | 95.182(16) | |
| I16 | Li3 | Li103 | 137.0(3) | S12 | Li12 | S37 | 84.818(16) | |
| I1 | Li3 | Li103 | 52.2(2) | S11 | Li12 | S3 | 84.818(16) | |
| I1 | Li3 | I15 | 161.2(3) | S22 | Li12 | S21 | 180.0 | |
| I16 | Li3 | I15 | 81.24(18) | S3 | Li12 | S21 | 83.035(14) | |
| I1 | Li3 | I16 | 88.08(18) | S3 | Li12 | S22 | 96.965(14) | |
| S1 | Li3 | Li15 | 57.16(16) | S37 | Li12 | S22 | 83.034(14) | |
| S1 | Li3 | Li72 | 52.3(2) | S37 | Li12 | S21 | 96.966(14) | |
| S1 | Li3 | Li103 | 117.8(4) | S37 | Li12 | S3 | 179.999(14) | |
| S1 | Li3 | I16 | 87.0(2) | Li2 | Li13 | Li47 | 113.3(8) | |
| S1 | Li3 | I15 | 87.12(16) | Li2 | Li13 | Li4 | 91.4(7) | |
| S1 | Li3 | I1 | 107.9(3) | Li2 | Li13 | Li104 | 97.2(9) | |
| S5 | Li3 | Li15 | 57.08(16) | Li2 | Li13 | Li12 | 102.6(7) | |
| S5 | Li3 | Li72 | 120.2(4) | Li47 | Li13 | Li4 | 34.7(7) | |
| S5 | Li3 | Li103 | 49.7(2) | Li5 | Li13 | Li2 | 134(3) | |
| S5 | Li3 | I16 | 163.0(3) | Li5 | Li13 | Li4 | 49(3) | |
| S5 | Li3 | I1 | 101.8(2) | Li5 | Li13 | Li47 | 49(3) | |
| S5 | Li3 | I15 | 85.34(18) | Li5 | Li13 | Li62 | 38(3) | |
| S5 | Li3 | S1 | 102.8(3) | Li5 | Li13 | Li104 | 126(3) | |
| Si12 | Li4 | Li157 | 85.6(8) | Li5 | Li13 | Li118 | 143(4) | |
| Li47 | Li4 | Si12 | 92.9(8) | Li5 | Li13 | Li12 | 47(3) | |
| Li47 | Li4 | Li5 | 68.6(9) | Li5 | Li13 | I18 | 71(3) | |
| Li47 | Li4 | Li57 | 71.6(9) | Li5 | Li13 | S21 | 92(4) | |
| Li47 | Li4 | Li72 | 177.4(11) | Li5 | Li13 | S3 | 83(3) | |
| Li47 | Li4 | Li157 | 9.5(8) | Li5 | Li13 | S64 | 155(4) | |
| Li47 | Li4 | S11 | 72.3(8) | Li62 | Li13 | Li2 | 114.4(16) | |
| Li47 | Li4 | S12 | 61.9(8) | Li62 | Li13 | Li47 | 85.7(16) | |
| Li47 | Li4 | S22 | 112.7(9) | Li62 | Li13 | Li4 | 69.7(13) | |
| Li47 | Li4 | S3 | 113.5(10) | Li62 | Li13 | Li104 | 113.2(14) | |
| Li5 | Li4 | Si12 | 96.9(6) | Li62 | Li13 | Li118 | 163.0(16) | |
| Li57 | Li4 | Si12 | 85.0(5) | Li62 | Li13 | Li12 | 77.2(15) | |
| Li57 | Li4 | Li5 | 140.3(7) | Li62 | Li13 | I18 | 68.9(9) | |
| Li5 | Li4 | Li157 | 63.7(7) | Li62 | Li13 | S21 | 131(2) | |
| Li57 | Li4 | Li157 | 77.0(7) | Li62 | Li13 | S3 | 75.0(12) | |
| Li72 | Li4 | Si12 | 84.6(5) | Li62 | Li13 | S64 | 117.7(19) | |
| Li72 | Li4 | Li5 | 112.4(8) | Li104 | Li13 | Li4 | 168.4(12) | |
| Li72 | Li4 | Li57 | 107.3(7) | Li104 | Li13 | Li47 | 133.8(11) | |
| Li72 | Li4 | Li157 | 168.9(9) | Li104 | Li13 | Li12 | 151.3(12) | |
| Li72 | Li4 | S11 | 109.4(7) | Li118 | Li13 | Li2 | 75.6(7) | |
| Li72 | Li4 | S12 | 116.5(6) | Li118 | Li13 | Li47 | 103.4(11) | |
| Li72 | Li4 | S22 | 64.9(5) | Li118 | Li13 | Li4 | 125.5(11) | |
| Li72 | Li4 | S3 | 68.5(5) | Li118 | Li13 | Li104 | 50.3(7) | |
| Li12 | Li4 | Si12 | 92.9(8) | Li118 | Li13 | Li12 | 115.3(11) | |
| Li12 | Li4 | Li47 | 0.001(3) | Li118 | Li13 | I18 | 95.0(9) | |
| Li12 | Li4 | Li57 | 71.6(9) | Li12 | Li13 | Li47 | 17.5(4) | |
| Li12 | Li4 | Li5 | 68.6(9) | Li12 | Li13 | Li4 | 17.2(3) | |
| Li12 | Li4 | Li72 | 177.4(11) | I18 | Li13 | Li2 | 145.6(12) | |
| Li12 | Li4 | Li157 | 9.5(8) | I18 | Li13 | Li47 | 101.0(9) | |
| Li12 | Li4 | Li15 | 153(2) | I18 | Li13 | Li4 | 119.8(9) | |
| Li12 | Li4 | S11 | 72.3(8) | I18 | Li13 | Li104 | 54.6(5) | |
| Li12 | Li4 | S12 | 61.9(8) | I18 | Li13 | Li12 | 111.2(9) | |
| Li12 | Li4 | S22 | 112.7(9) | S21 | Li13 | Li2 | 102.0(8) | |
| Li12 | Li4 | S3 | 113.5(10) | S21 | Li13 | Li47 | 48.4(7) | |
| Li15 | Li4 | Si12 | 108(2) | S21 | Li13 | Li4 | 77.4(8) | |
| Li15 | Li4 | Li47 | 153(2) | S21 | Li13 | Li104 | 93.1(9) | |
| Li15 | Li4 | Li5 | 123.6(17) | S21 | Li13 | Li118 | 55.2(7) | |
| Li15 | Li4 | Li57 | 92.8(15) | S21 | Li13 | Li12 | 62.6(7) | |
| Li15 | Li4 | Li72 | 28.2(18) | S21 | Li13 | I18 | 99.0(9) | |
| Li15 | Li4 | Li157 | 162.8(15) | S21 | Li13 | S64 | 111.1(11) | |
| Li15 | Li4 | S11 | 81.2(19) | S3 | Li13 | Li2 | 51.5(5) | |
| Li15 | Li4 | S12 | 145(2) | S3 | Li13 | Li47 | 78.9(9) | |
| Li15 | Li4 | S22 | 74.0(19) | S3 | Li13 | Li4 | 45.8(6) | |
| Li15 | Li4 | S3 | 71.6(15) | S3 | Li13 | Li104 | 145.2(13) | |
| S12 | Li4 | Si12 | 43.9(2) | S3 | Li13 | Li118 | 120.5(9) | |
| S11 | Li4 | Si12 | 145.2(6) | S3 | Li13 | Li12 | 62.0(7) | |
| S11 | Li4 | Li5 | 106.0(6) | S3 | Li13 | I18 | 143.8(12) | |
| S11 | Li4 | Li57 | 60.6(5) | S3 | Li13 | S21 | 106.8(10) | |
| S12 | Li4 | Li57 | 102.5(6) | S3 | Li13 | S64 | 97.3(10) | |
| S12 | Li4 | Li5 | 58.0(5) | S64 | Li13 | Li2 | 50.4(5) | |
| S12 | Li4 | Li157 | 52.4(8) | S64 | Li13 | Li47 | 154.8(10) | |
| S11 | Li4 | Li157 | 81.7(7) | S64 | Li13 | Li4 | 141.5(9) | |
| S11 | Li4 | S12 | 134.1(8) | S64 | Li13 | Li104 | 48.3(5) | |
| S11 | Li4 | S22 | 111.6(6) | S64 | Li13 | Li118 | 56.8(7) | |
| S22 | Li4 | Si12 | 44.56(19) | S64 | Li13 | Li12 | 152.1(8) | |
| S22 | Li4 | Li5 | 140.8(7) | S64 | Li13 | I18 | 96.5(9) | |
| S22 | Li4 | Li57 | 58.4(5) | Li15 | Li14 | Li93 | 115.4(11) | |
| S22 | Li4 | Li157 | 110.8(8) | Li15 | Li14 | Li1312 | 114.5(13) | |
| S22 | Li4 | S12 | 87.1(4) | Li15 | Li14 | I15 | 61.4(8) | |
| S3 | Li4 | Si12 | 119.2(6) | Li89 | Li14 | Li15 | 108.6(14) | |
| S3 | Li4 | Li57 | 154.0(7) | Li8 | Li14 | Li15 | 111(2) | |
| S3 | Li4 | Li5 | 52.2(5) | Li8 | Li14 | Li89 | 11.4(11) | |
| S3 | Li4 | Li157 | 112.3(7) | Li8 | Li14 | Li93 | 69.8(15) | |
| S3 | Li4 | S12 | 102.1(5) | Li89 | Li14 | Li93 | 60.2(8) | |
| S3 | Li4 | S11 | 95.7(4) | Li8 | Li14 | Li1312 | 130(2) | |
| S3 | Li4 | S22 | 131.5(8) | Li89 | Li14 | Li1312 | 125.7(14) | |
| Li47 | Li5 | Li4 | 39.7(8) | Li89 | Li14 | I15 | 154.0(13) | |
| Li47 | Li5 | Li7 | 99.0(7) | Li8 | Li14 | I15 | 165(2) | |
| Li4 | Li5 | Li7 | 79.4(6) | Li8 | Li14 | S5 | 72.6(15) | |
| Li4 | Li5 | Li118 | 119.6(7) | Li8 | Li14 | S69 | 81.5(18) | |
| Li47 | Li5 | Li118 | 99.2(7) | Li8 | Li14 | S75 | 79.1(19) | |
| Li47 | Li5 | Li157 | 20.5(6) | Li93 | Li14 | Li1312 | 72.1(10) | |
| Li4 | Li5 | Li157 | 59.2(9) | Li109 | Li14 | Li15 | 102(2) | |
| Li62 | Li5 | Li47 | 119.2(16) | Li109 | Li14 | Li89 | 137(2) | |
| Li62 | Li5 | Li4 | 92.4(13) | Li109 | Li14 | Li8 | 127(3) | |
| Li62 | Li5 | Li7 | 21.5(13) | Li109 | Li14 | Li93 | 130(2) | |
| Li62 | Li5 | Li118 | 141.6(18) | Li109 | Li14 | Li1312 | 61.8(18) | |
| Li62 | Li5 | Li12 | 106.2(14) | Li109 | Li14 | I15 | 68.0(17) | |
| Li62 | Li5 | Li157 | 122.2(18) | Li109 | Li14 | S5 | 160(3) | |
| Li62 | Li5 | I18 | 78.2(11) | Li109 | Li14 | S69 | 78.0(18) | |
| Li62 | Li5 | S12 | 72.0(14) | Li109 | Li14 | S75 | 81.6(18) | |
| Li62 | Li5 | S21 | 170.7(19) | I15 | Li14 | Li93 | 100.7(11) | |
| Li62 | Li5 | S3 | 81.1(13) | I15 | Li14 | Li1312 | 53.6(8) | |
| Li7 | Li5 | Li118 | 160.4(8) | S5 | Li14 | Li15 | 63.4(9) | |
| Li12 | Li5 | Li47 | 20.1(4) | S5 | Li14 | Li89 | 62.6(9) | |
| Li12 | Li5 | Li4 | 19.7(4) | S5 | Li14 | Li93 | 55.6(7) | |
| Li12 | Li5 | Li7 | 89.0(6) | S5 | Li14 | Li1312 | 110.2(13) | |
| Li12 | Li5 | Li118 | 110.5(7) | S5 | Li14 | I15 | 92.4(11) | |
| Li12 | Li5 | Li157 | 39.8(7) | S69 | Li14 | Li15 | 162.7(18) | |
| Li12 | Li5 | I18 | 131.1(7) | S69 | Li14 | Li89 | 81.3(12) | |
| Li13 | Li5 | Li47 | 120(4) | S69 | Li14 | Li93 | 56.4(8) | |
| Li13 | Li5 | Li4 | 120(3) | S69 | Li14 | Li1312 | 49.8(9) | |
| Li13 | Li5 | Li62 | 116(5) | S69 | Li14 | I15 | 103.4(15) | |
| Li13 | Li5 | Li7 | 138(4) | S69 | Li14 | S5 | 111.9(14) | |
| Li13 | Li5 | Li118 | 30(4) | S69 | Li14 | S75 | 134.4(16) | |
| Li13 | Li5 | Li12 | 122(3) | S75 | Li14 | Li15 | 61.8(9) | |
| Li13 | Li5 | Li157 | 121(4) | S75 | Li14 | Li89 | 87.0(14) | |
| Li13 | Li5 | I18 | 95(3) | S75 | Li14 | Li93 | 145.3(16) | |
| Li13 | Li5 | S12 | 171(4) | S75 | Li14 | Li1312 | 142.3(14) | |
| Li13 | Li5 | S21 | 73(4) | S75 | Li14 | I15 | 106.0(13) | |
| Li13 | Li5 | S3 | 81(3) | S75 | Li14 | S5 | 101.0(15) | |
| Li157 | Li5 | Li7 | 100.7(9) | Li1 | Li15 | Li47 | 101.7(11) | |
| Li157 | Li5 | Li118 | 93.8(9) | Li1 | Li15 | Li57 | 113.2(10) | |
| I18 | Li5 | Li47 | 115.7(7) | Li1 | Li15 | Li6 | 134.2(12) | |
| I18 | Li5 | Li4 | 143.1(8) | Li1 | Li15 | Li137 | 122.3(10) | |
| I18 | Li5 | Li7 | 79.7(5) | Li1 | Li15 | I1 | 58.7(7) | |
| I18 | Li5 | Li118 | 86.0(6) | Li4 | Li15 | Li1 | 112(2) | |
| I18 | Li5 | Li157 | 95.7(8) | Li4 | Li15 | Li47 | 17.2(15) | |
| S12 | Li5 | Li4 | 55.2(5) | Li47 | Li15 | Li57 | 57.1(7) | |
| S12 | Li5 | Li47 | 51.4(4) | Li4 | Li15 | Li57 | 66.7(15) | |
| S12 | Li5 | Li7 | 50.5(4) | Li47 | Li15 | Li6 | 120.6(12) | |
| S12 | Li5 | Li118 | 142.7(8) | Li4 | Li15 | Li6 | 106(2) | |
| S12 | Li5 | Li12 | 50.6(4) | Li4 | Li15 | Li72 | 127(3) | |
| S12 | Li5 | Li157 | 50.2(7) | Li4 | Li15 | Li12 | 12.6(12) | |
| S12 | Li5 | I18 | 88.1(5) | Li47 | Li15 | Li137 | 60.7(8) | |
| S21 | Li5 | Li4 | 83.6(6) | Li4 | Li15 | Li137 | 67.5(15) | |
| S21 | Li5 | Li47 | 53.2(5) | Li4 | Li15 | I1 | 164(2) | |
| S21 | Li5 | Li7 | 149.3(8) | Li47 | Li15 | I1 | 146.7(11) | |
| S21 | Li5 | Li118 | 46.5(5) | Li4 | Li15 | S11 | 73.1(19) | |
| S21 | Li5 | Li12 | 67.9(5) | Li4 | Li15 | S22 | 80.1(19) | |
| S21 | Li5 | Li157 | 48.6(7) | Li4 | Li15 | S3 | 81.4(17) | |
| S21 | Li5 | I18 | 99.9(6) | Li57 | Li15 | Li6 | 104.7(11) | |
| S21 | Li5 | S12 | 98.8(7) | Li57 | Li15 | Li137 | 9.6(6) | |
| S3 | Li5 | Li47 | 87.5(7) | Li6 | Li15 | Li137 | 95.2(10) | |
| S3 | Li5 | Li4 | 52.2(5) | Li72 | Li15 | Li1 | 104.8(18) | |
| S3 | Li5 | Li7 | 86.6(6) | Li72 | Li15 | Li47 | 144(2) | |
| S3 | Li5 | Li118 | 101.4(7) | Li72 | Li15 | Li57 | 129.3(19) | |
| S3 | Li5 | Li12 | 69.4(5) | Li72 | Li15 | Li6 | 29.4(11) | |
| S3 | Li5 | Li157 | 108.0(9) | Li72 | Li15 | Li12 | 139(2) | |
| S3 | Li5 | I18 | 154.5(9) | Li72 | Li15 | Li137 | 120.6(18) | |
| S3 | Li5 | S12 | 99.7(7) | Li72 | Li15 | I1 | 69.3(16) | |
| S3 | Li5 | S21 | 102.8(6) | Li72 | Li15 | S11 | 160(2) | |
| Si12 | Li6 | Li45 | 112.0(5) | Li72 | Li15 | S22 | 77.9(16) | |
| Si12 | Li6 | Li42 | 78.9(4) | Li72 | Li15 | S3 | 86.2(12) | |
| Si12 | Li6 | Li125 | 96.4(4) | Li12 | Li15 | Li1 | 104.7(14) | |
| Si12 | Li6 | Li15 | 66.1(7) | Li12 | Li15 | Li47 | 4.6(4) | |
| Li42 | Li6 | Li45 | 34.2(6) | Li12 | Li15 | Li57 | 59.5(8) | |
| Li42 | Li6 | Li125 | 18.0(4) | Li12 | Li15 | Li6 | 116.6(14) | |
| Li42 | Li6 | Li15 | 94.2(7) | Li12 | Li15 | Li137 | 62.3(8) | |
| Li52 | Li6 | Si12 | 116.5(15) | Li12 | Li15 | I1 | 151.3(14) | |
| Li52 | Li6 | Li42 | 68.7(13) | Li12 | Li15 | S11 | 60.6(9) | |
| Li52 | Li6 | Li45 | 46.1(14) | Li12 | Li15 | S22 | 84.4(12) | |
| Li52 | Li6 | Li72 | 149.2(18) | Li12 | Li15 | S3 | 85.0(12) | |
| Li52 | Li6 | Li125 | 55.8(13) | I1 | Li15 | Li57 | 103.2(8) | |
| Li52 | Li6 | Li132 | 25.0(19) | I1 | Li15 | Li6 | 88.9(10) | |
| Li52 | Li6 | Li15 | 160.8(17) | I1 | Li15 | Li137 | 104.7(8) | |
| Li52 | Li6 | I16 | 80.8(11) | S11 | Li15 | Li1 | 60.4(8) | |
| Li52 | Li6 | S1 | 86.0(15) | S11 | Li15 | Li47 | 56.0(7) | |
| Li52 | Li6 | S22 | 148.9(19) | S11 | Li15 | Li57 | 56.1(6) | |
| Li52 | Li6 | S32 | 74.7(13) | S11 | Li15 | Li6 | 160.1(11) | |
| Li72 | Li6 | Si12 | 79.9(5) | S11 | Li15 | Li137 | 65.7(8) | |
| Li72 | Li6 | Li42 | 91.1(6) | S11 | Li15 | I1 | 90.9(10) | |
| Li72 | Li6 | Li45 | 104.7(7) | S22 | Li15 | Li1 | 159.0(12) | |
| Li72 | Li6 | Li125 | 98.6(6) | S22 | Li15 | Li47 | 86.0(11) | |
| Li72 | Li6 | Li15 | 15.1(6) | S22 | Li15 | Li57 | 54.9(6) | |
| Li72 | Li6 | I16 | 98.8(7) | S22 | Li15 | Li6 | 50.2(7) | |
| Li72 | Li6 | S1 | 63.3(6) | S22 | Li15 | Li137 | 45.3(6) | |
| Li72 | Li6 | S22 | 60.8(5) | S22 | Li15 | I1 | 104.7(11) | |
| Li72 | Li6 | S32 | 109.9(6) | S22 | Li15 | S11 | 111.0(10) | |
| Li125 | Li6 | Li45 | 16.2(3) | S3 | Li15 | Li1 | 59.8(8) | |
| Li125 | Li6 | Li15 | 105.4(7) | S3 | Li15 | Li47 | 86.4(12) | |
| Li132 | Li6 | Si12 | 102.8(13) | S3 | Li15 | Li57 | 141.9(16) | |
| Li132 | Li6 | Li42 | 84.4(14) | S3 | Li15 | Li6 | 103.5(9) | |
| Li132 | Li6 | Li45 | 69.6(15) | S3 | Li15 | Li137 | 147.1(16) | |
| Li132 | Li6 | Li72 | 174.2(18) | S3 | Li15 | I1 | 102.5(12) | |
| Li132 | Li6 | Li125 | 76.1(15) | S3 | Li15 | S11 | 96.0(13) | |
| Li132 | Li6 | Li15 | 168.8(15) | S3 | Li15 | S22 | 140.9(14) | |
| Li132 | Li6 | I16 | 81.7(11) | Li1 | I1 | Li31 | 58.67(17) | |
| Li132 | Li6 | S1 | 111.0(16) | Li1 | I1 | Li313 | 131.13(16) | |
| Li132 | Li6 | S22 | 124.6(16) | Li1 | I1 | Li1311 | 124.6(7) | |
| Li132 | Li6 | S32 | 69.8(11) | Li1 | I1 | Li141 | 53.4(8) | |
| Li15 | Li6 | Li45 | 114.7(7) | Li1 | I1 | Li15 | 55.8(7) | |
| I16 | Li6 | Si12 | 147.7(6) | Li3 | I1 | Li1 | 103.0(2) | |
| I16 | Li6 | Li45 | 99.6(5) | Li3 | I1 | Li313 | 99.4(2) | |
| I16 | Li6 | Li42 | 133.3(6) | Li313 | I1 | Li31 | 91.22(17) | |
| I16 | Li6 | Li125 | 115.6(5) | Li3 | I1 | Li31 | 161.2(3) | |
| I16 | Li6 | Li15 | 107.0(9) | Li3 | I1 | Li72 | 67.3(3) | |
| S1 | Li6 | Si12 | 115.9(6) | Li3 | I1 | Li1311 | 88.7(7) | |
| S1 | Li6 | Li42 | 53.4(4) | Li3 | I1 | Li141 | 95.8(6) | |
| S1 | Li6 | Li45 | 44.1(3) | Li3 | I1 | Li15 | 89.6(6) | |
| S1 | Li6 | Li125 | 46.3(3) | Li313 | I1 | Li15 | 81.8(6) | |
| S1 | Li6 | Li15 | 76.5(7) | Li511 | I1 | Li1 | 135.9(4) | |
| S1 | Li6 | I16 | 91.1(4) | Li511 | I1 | Li313 | 85.1(5) | |
| S22 | Li6 | Si12 | 43.7(2) | Li511 | I1 | Li31 | 104.2(4) | |
| S22 | Li6 | Li45 | 150.7(6) | Li511 | I1 | Li3 | 92.2(4) | |
| S22 | Li6 | Li42 | 117.0(6) | Li511 | I1 | Li72 | 151.5(5) | |
| S22 | Li6 | Li125 | 134.8(5) | Li511 | I1 | Li1311 | 13.5(6) | |
| S22 | Li6 | Li15 | 46.6(6) | Li511 | I1 | Li141 | 84.4(8) | |
| S22 | Li6 | I16 | 107.5(5) | Li511 | I1 | Li15 | 166.9(7) | |
| S22 | Li6 | S1 | 122.9(9) | Li613 | I1 | Li1 | 128.8(3) | |
| S32 | Li6 | Si12 | 43.9(2) | Li613 | I1 | Li313 | 78.2(5) | |
| S32 | Li6 | Li45 | 73.8(5) | Li613 | I1 | Li31 | 84.5(4) | |
| S32 | Li6 | Li42 | 48.7(4) | Li613 | I1 | Li3 | 112.7(4) | |
| S32 | Li6 | Li125 | 61.3(3) | Li613 | I1 | Li511 | 21.0(5) | |
| S32 | Li6 | Li15 | 101.0(8) | Li613 | I1 | Li72 | 157.3(5) | |
| S32 | Li6 | I16 | 151.3(9) | Li613 | I1 | Li1311 | 29.4(8) | |
| S32 | Li6 | S1 | 101.7(5) | Li613 | I1 | Li141 | 86.8(8) | |
| S32 | Li6 | S22 | 87.1(4) | Li613 | I1 | Li15 | 152.0(7) | |
| Si12 | Li7 | Li12 | 80.8(2) | Li72 | I1 | Li1 | 70.4(2) | |
| Si12 | Li7 | Li32 | 76.6(3) | Li72 | I1 | Li31 | 99.9(3) | |
| Si12 | Li7 | Li5 | 88.5(4) | Li72 | I1 | Li313 | 79.5(2) | |
| Li32 | Li7 | Li12 | 87.5(3) | Li72 | I1 | Li1311 | 154.9(7) | |
| Li32 | Li7 | Li5 | 76.3(4) | Li72 | I1 | Li141 | 115.9(8) | |
| Li42 | Li7 | Si12 | 96.3(5) | Li72 | I1 | Li15 | 23.5(6) | |
| Li42 | Li7 | Li12 | 73.1(5) | Li103 | I1 | Li1 | 67.0(2) | |
| Li42 | Li7 | Li32 | 160.3(6) | Li103 | I1 | Li3 | 72.8(3) | |
| Li42 | Li7 | Li5 | 122.4(6) | Li103 | I1 | Li313 | 161.9(3) | |
| Li42 | Li7 | Li62 | 117.0(6) | Li103 | I1 | Li31 | 101.0(3) | |
| Li42 | Li7 | Li125 | 0.8(3) | Li103 | I1 | Li511 | 79.0(5) | |
| Li42 | Li7 | I12 | 112.2(6) | Li103 | I1 | Li613 | 89.6(5) | |
| Li42 | Li7 | S12 | 133.7(6) | Li103 | I1 | Li72 | 111.1(3) | |
| Li42 | Li7 | S2 | 65.3(4) | Li103 | I1 | Li1311 | 65.5(6) | |
| Li42 | Li7 | S32 | 61.6(5) | Li103 | I1 | Li141 | 24.0(7) | |
| Li5 | Li7 | Li12 | 162.3(5) | Li103 | I1 | Li15 | 113.9(6) | |
| Li62 | Li7 | Si12 | 96.7(5) | Li1311 | I1 | Li31 | 105.1(7) | |
| Li62 | Li7 | Li12 | 169.9(6) | Li1311 | I1 | Li313 | 98.6(6) | |
| Li62 | Li7 | Li32 | 82.4(5) | Li1311 | I1 | Li141 | 71.8(10) | |
| Li62 | Li7 | Li5 | 9.3(6) | Li1311 | I1 | Li15 | 178.3(8) | |
| Li62 | Li7 | Li125 | 116.2(5) | Li141 | I1 | Li313 | 161.7(7) | |
| Li62 | Li7 | I12 | 118.3(5) | Li141 | I1 | Li31 | 77.0(6) | |
| Li62 | Li7 | S12 | 63.5(5) | Li141 | I1 | Li15 | 108.3(10) | |
| Li62 | Li7 | S2 | 64.4(4) | Li15 | I1 | Li31 | 76.5(6) | |
| Li62 | Li7 | S32 | 132.8(5) | Si1 | S1 | Li15 | 89.27(10) | |
| Li125 | Li7 | Si12 | 96.7(3) | Si1 | S1 | Li3 | 115.97(19) | |
| Li125 | Li7 | Li12 | 73.9(3) | Si1 | S1 | Li45 | 106.3(4) | |
| Li125 | Li7 | Li32 | 161.1(4) | Si1 | S1 | Li42 | 76.2(3) | |
| Li125 | Li7 | Li5 | 121.7(4) | Si1 | S1 | Li52 | 132.1(4) | |
| Li152 | Li7 | Si12 | 106.6(13) | Si1 | S1 | Li6 | 119.9(3) | |
| Li152 | Li7 | Li12 | 54.3(16) | Si1 | S1 | Li72 | 81.6(2) | |
| Li152 | Li7 | Li32 | 139.3(17) | Si1 | S1 | Li125 | 90.69(2) | |
| Li152 | Li7 | Li42 | 25.0(16) | Si1 | S1 | Li155 | 122.2(7) | |
| Li152 | Li7 | Li5 | 143.1(16) | Li15 | S1 | Li52 | 133.6(4) | |
| Li152 | Li7 | Li62 | 135.4(16) | Li3 | S1 | Li15 | 71.99(18) | |
| Li152 | Li7 | Li125 | 25.6(16) | Li3 | S1 | Li42 | 166.4(3) | |
| Li152 | Li7 | I12 | 87.2(16) | Li3 | S1 | Li52 | 99.6(4) | |
| Li152 | Li7 | S12 | 149.0(14) | Li3 | S1 | Li6 | 93.4(4) | |
| Li152 | Li7 | S2 | 73.0(14) | Li3 | S1 | Li72 | 78.2(3) | |
| Li152 | Li7 | S32 | 64.8(13) | Li3 | S1 | Li155 | 104.4(8) | |
| I12 | Li7 | Si12 | 112.6(3) | Li45 | S1 | Li15 | 82.5(4) | |
| I12 | Li7 | Li12 | 54.84(18) | Li42 | S1 | Li15 | 116.0(4) | |
| I12 | Li7 | Li32 | 56.2(2) | Li45 | S1 | Li3 | 129.4(5) | |
| I12 | Li7 | Li5 | 118.4(5) | Li45 | S1 | Li42 | 45.9(8) | |
| I12 | Li7 | Li125 | 112.7(4) | Li42 | S1 | Li52 | 66.8(5) | |
| S12 | Li7 | Si12 | 42.44(13) | Li45 | S1 | Li52 | 68.0(5) | |
| S12 | Li7 | Li12 | 109.6(3) | Li45 | S1 | Li6 | 88.3(5) | |
| S12 | Li7 | Li32 | 49.5(2) | Li45 | S1 | Li72 | 136.5(4) | |
| S12 | Li7 | Li5 | 54.2(4) | Li45 | S1 | Li155 | 25.7(8) | |
| S12 | Li7 | Li125 | 133.8(4) | Li6 | S1 | Li15 | 150.8(3) | |
| S12 | Li7 | I12 | 104.7(3) | Li6 | S1 | Li42 | 74.4(5) | |
| S2 | Li7 | Si12 | 138.1(4) | Li6 | S1 | Li52 | 22.0(6) | |
| S2 | Li7 | Li12 | 123.6(4) | Li72 | S1 | Li15 | 141.0(2) | |
| S2 | Li7 | Li32 | 131.6(5) | Li72 | S1 | Li42 | 98.6(4) | |
| S2 | Li7 | Li5 | 73.5(4) | Li72 | S1 | Li52 | 75.3(5) | |
| S2 | Li7 | Li125 | 64.5(2) | Li72 | S1 | Li6 | 53.3(5) | |
| S2 | Li7 | I12 | 109.2(3) | Li125 | S1 | Li15 | 100.33(10) | |
| S2 | Li7 | S12 | 126.6(4) | Li125 | S1 | Li3 | 151.58(18) | |
| S2 | Li7 | S32 | 125.2(5) | Li125 | S1 | Li45 | 23.9(4) | |
| S32 | Li7 | Si12 | 42.45(13) | Li125 | S1 | Li42 | 22.0(4) | |
| S32 | Li7 | Li12 | 49.9(2) | Li125 | S1 | Li52 | 65.3(4) | |
| S32 | Li7 | Li32 | 103.1(3) | Li125 | S1 | Li6 | 80.4(4) | |
| S32 | Li7 | Li5 | 126.8(5) | Li125 | S1 | Li72 | 117.5(2) | |
| S32 | Li7 | Li125 | 62.3(3) | Li125 | S1 | Li155 | 49.5(8) | |
| S32 | Li7 | I12 | 102.2(3) | Li155 | S1 | Li15 | 65.2(8) | |
| S32 | Li7 | S12 | 84.5(3) | Li155 | S1 | Li42 | 71.5(10) | |
| Si29 | Li8 | Li119 | 81.5(5) | Li155 | S1 | Li52 | 73.7(8) | |
| Li89 | Li8 | Si29 | 91.6(10) | Li155 | S1 | Li6 | 95.7(8) | |
| Li89 | Li8 | Li93 | 75.3(10) | Li155 | S1 | Li72 | 148.9(7) | |
| Li89 | Li8 | Li95 | 78.7(12) | Si1 | S2 | Li42 | 79.5(4) | |
| Li89 | Li8 | Li109 | 170.2(13) | Si1 | S2 | Li55 | 111.8(4) | |
| Li89 | Li8 | Li119 | 87.7(12) | Si1 | S2 | Li62 | 79.2(3) | |
| Li89 | Li8 | Li149 | 11.5(11) | Si1 | S2 | Li7 | 97.3(2) | |
| Li89 | Li8 | Li14 | 157(2) | Si1 | S2 | Li910 | 91.8(3) | |
| Li89 | Li8 | S59 | 65.3(10) | Si1 | S2 | Li1114 | 103.2(5) | |
| Li89 | Li8 | S5 | 84.5(10) | Si1 | S2 | Li125 | 73.95(2) | |
| Li89 | Li8 | S69 | 111.0(11) | Si1 | S2 | Li135 | 109.5(5) | |
| Li89 | Li8 | S75 | 125.7(13) | Si1 | S2 | Li152 | 98.9(7) | |
| Li93 | Li8 | Si29 | 86.8(4) | Li42 | S2 | Li55 | 68.4(6) | |
| Li95 | Li8 | Si29 | 94.0(5) | Li42 | S2 | Li62 | 96.3(6) | |
| Li95 | Li8 | Li93 | 154.0(6) | Li42 | S2 | Li910 | 164.2(5) | |
| Li93 | Li8 | Li119 | 159.0(7) | Li42 | S2 | Li1114 | 151.7(6) | |
| Li95 | Li8 | Li119 | 15.2(3) | Li42 | S2 | Li125 | 17.7(4) | |
| Li109 | Li8 | Si29 | 79.6(5) | Li42 | S2 | Li135 | 82.1(8) | |
| Li109 | Li8 | Li93 | 99.4(6) | Li55 | S2 | Li125 | 57.6(4) | |
| Li109 | Li8 | Li95 | 106.3(6) | Li62 | S2 | Li55 | 158.1(6) | |
| Li109 | Li8 | Li119 | 95.5(6) | Li62 | S2 | Li910 | 95.0(7) | |
| Li109 | Li8 | Li149 | 164.8(9) | Li62 | S2 | Li125 | 111.1(4) | |
| Li109 | Li8 | S59 | 109.8(6) | Li7 | S2 | Li42 | 49.8(5) | |
| Li109 | Li8 | S5 | 100.0(6) | Li7 | S2 | Li55 | 103.9(5) | |
| Li109 | Li8 | S69 | 59.4(4) | Li7 | S2 | Li62 | 54.8(6) | |
| Li109 | Li8 | S75 | 62.6(4) | Li7 | S2 | Li910 | 145.5(5) | |
| Li14 | Li8 | Si29 | 99.1(17) | Li7 | S2 | Li1114 | 152.9(4) | |
| Li149 | Li8 | Si29 | 86.2(9) | Li7 | S2 | Li125 | 67.4(3) | |
| Li14 | Li8 | Li93 | 85.1(17) | Li7 | S2 | Li135 | 119.0(7) | |
| Li149 | Li8 | Li93 | 85.1(9) | Li910 | S2 | Li55 | 103.3(6) | |
| Li149 | Li8 | Li95 | 69.0(10) | Li910 | S2 | Li125 | 146.7(4) | |
| Li14 | Li8 | Li95 | 120.3(18) | Li1114 | S2 | Li55 | 84.8(7) | |
| Li14 | Li8 | Li109 | 25.0(15) | Li1114 | S2 | Li62 | 111.9(7) | |
| Li14 | Li8 | Li119 | 113.8(17) | Li1114 | S2 | Li910 | 19.0(4) | |
| Li149 | Li8 | Li119 | 76.8(9) | Li1114 | S2 | Li125 | 135.4(4) | |
| Li14 | Li8 | Li149 | 168.6(11) | Li135 | S2 | Li55 | 15.2(6) | |
| Li149 | Li8 | S59 | 55.2(8) | Li135 | S2 | Li62 | 170.6(7) | |
| Li14 | Li8 | S59 | 134.4(17) | Li135 | S2 | Li910 | 88.5(8) | |
| Li14 | Li8 | S5 | 75.1(15) | Li135 | S2 | Li1114 | 70.4(9) | |
| Li14 | Li8 | S69 | 66.4(18) | Li135 | S2 | Li125 | 69.2(7) | |
| Li14 | Li8 | S75 | 68.7(17) | Li152 | S2 | Li42 | 25.9(9) | |
| S5 | Li8 | Si29 | 145.2(5) | Li152 | S2 | Li55 | 76.5(8) | |
| S59 | Li8 | Si29 | 42.68(17) | Li152 | S2 | Li62 | 83.2(9) | |
| S5 | Li8 | Li95 | 118.8(6) | Li152 | S2 | Li7 | 29.1(8) | |
| S59 | Li8 | Li93 | 110.2(5) | Li152 | S2 | Li910 | 168.6(9) | |
| S59 | Li8 | Li95 | 57.3(4) | Li152 | S2 | Li1114 | 155.2(8) | |
| S5 | Li8 | Li93 | 58.8(4) | Li152 | S2 | Li125 | 42.3(9) | |
| S59 | Li8 | Li119 | 50.3(4) | Li152 | S2 | Li135 | 91.7(10) | |
| S5 | Li8 | Li119 | 132.6(6) | Si1 | S3 | Li1 | 125.64(10) | |
| S5 | Li8 | Li149 | 94.8(8) | Si1 | S3 | Li2 | 96.73(14) | |
| S5 | Li8 | S59 | 149.8(7) | Si1 | S3 | Li4 | 120.5(3) | |
| S5 | Li8 | S69 | 106.7(5) | Si1 | S3 | Li5 | 104.7(5) | |
| S5 | Li8 | S75 | 98.3(4) | Si1 | S3 | Li62 | 81.7(4) | |
| S69 | Li8 | Si29 | 43.10(18) | Si1 | S3 | Li72 | 82.8(3) | |
| S69 | Li8 | Li93 | 58.1(4) | Si1 | S3 | Li12 | 131.30(2) | |
| S69 | Li8 | Li95 | 134.2(6) | Si1 | S3 | Li13 | 107.2(8) | |
| S69 | Li8 | Li119 | 119.6(6) | Si1 | S3 | Li15 | 111.2(9) | |
| S69 | Li8 | Li149 | 112.8(10) | Li1 | S3 | Li12 | 88.52(10) | |
| S69 | Li8 | S59 | 85.3(3) | Li2 | S3 | Li1 | 71.96(16) | |
| S75 | Li8 | Si29 | 111.7(4) | Li2 | S3 | Li62 | 105.8(5) | |
| S75 | Li8 | Li95 | 52.4(4) | Li2 | S3 | Li72 | 146.9(2) | |
| S75 | Li8 | Li93 | 149.6(6) | Li2 | S3 | Li12 | 129.03(13) | |
| S75 | Li8 | Li119 | 51.3(3) | Li4 | S3 | Li1 | 85.5(4) | |
| S75 | Li8 | Li149 | 118.8(10) | Li4 | S3 | Li2 | 142.7(4) | |
| S75 | Li8 | S59 | 99.4(4) | Li4 | S3 | Li62 | 80.9(6) | |
| S75 | Li8 | S69 | 119.6(6) | Li4 | S3 | Li72 | 49.9(5) | |
| Li81 | Li9 | Li83 | 26.0(6) | Li4 | S3 | Li12 | 18.0(4) | |
| Li81 | Li9 | Li10 | 81.6(5) | Li5 | S3 | Li1 | 128.8(5) | |
| Li83 | Li9 | Li10 | 92.4(5) | Li5 | S3 | Li2 | 95.6(5) | |
| Li81 | Li9 | Li143 | 50.8(9) | Li5 | S3 | Li4 | 75.6(7) | |
| Li83 | Li9 | Li143 | 25.1(7) | Li5 | S3 | Li62 | 24.2(6) | |
| Li83 | Li9 | S44 | 144.5(7) | Li5 | S3 | Li72 | 116.7(5) | |
| Li81 | Li9 | S44 | 138.2(5) | Li5 | S3 | Li12 | 60.8(5) | |
| Li113 | Li9 | Li81 | 100.2(14) | Li62 | S3 | Li1 | 152.6(4) | |
| Li113 | Li9 | Li83 | 114.2(15) | Li62 | S3 | Li72 | 106.9(5) | |
| Li113 | Li9 | Li10 | 22.1(14) | Li62 | S3 | Li12 | 71.6(4) | |
| Li113 | Li9 | Li143 | 118.7(17) | Li72 | S3 | Li1 | 81.4(2) | |
| Li113 | Li9 | S24 | 76.5(12) | Li72 | S3 | Li12 | 67.9(2) | |
| Li113 | Li9 | S44 | 98.3(17) | Li13 | S3 | Li1 | 121.4(7) | |
| Li113 | Li9 | S53 | 70.4(14) | Li13 | S3 | Li2 | 78.9(7) | |
| Li113 | Li9 | S61 | 164.5(18) | Li13 | S3 | Li4 | 88.7(9) | |
| Li113 | Li9 | S7 | 88.0(14) | Li13 | S3 | Li5 | 16.6(6) | |
| Li143 | Li9 | Li10 | 97.5(8) | Li13 | S3 | Li62 | 35.2(8) | |
| S24 | Li9 | Li83 | 126.8(6) | Li13 | S3 | Li72 | 133.1(8) | |
| S24 | Li9 | Li81 | 148.2(6) | Li13 | S3 | Li12 | 72.1(8) | |
| S24 | Li9 | Li10 | 86.3(5) | Li15 | S3 | Li1 | 69.8(9) | |
| S24 | Li9 | Li143 | 102.4(9) | Li15 | S3 | Li2 | 141.1(9) | |
| S24 | Li9 | S44 | 72.8(3) | Li15 | S3 | Li4 | 27.0(9) | |
| S24 | Li9 | S53 | 94.5(4) | Li15 | S3 | Li5 | 102.5(11) | |
| S24 | Li9 | S61 | 105.4(5) | Li15 | S3 | Li62 | 104.6(10) | |
| S44 | Li9 | Li10 | 120.3(6) | Li15 | S3 | Li72 | 29.0(9) | |
| S44 | Li9 | Li143 | 140.9(10) | Li15 | S3 | Li12 | 43.6(9) | |
| S53 | Li9 | Li81 | 55.7(3) | Li15 | S3 | Li13 | 115.5(13) | |
| S53 | Li9 | Li83 | 49.9(3) | Si1 | S4 | Si2 | 111.82(3) | |
| S53 | Li9 | Li10 | 49.2(3) | Si1 | S4 | Li15 | 82.38(9) | |
| S53 | Li9 | Li143 | 48.4(7) | Si1 | S4 | Li25 | 112.04(11) | |
| S53 | Li9 | S44 | 165.1(6) | Si1 | S4 | Li910 | 79.9(2) | |
| S53 | Li9 | S61 | 94.0(5) | Si2 | S4 | Li15 | 82.08(9) | |
| S61 | Li9 | Li83 | 52.0(4) | Si2 | S4 | Li25 | 116.65(11) | |
| S61 | Li9 | Li81 | 69.8(5) | Si2 | S4 | Li910 | 143.2(3) | |
| S61 | Li9 | Li10 | 142.7(5) | Li15 | S4 | Li25 | 61.36(13) | |
| S61 | Li9 | Li143 | 45.7(7) | Li15 | S4 | Li910 | 134.7(3) | |
| S61 | Li9 | S44 | 97.0(5) | Li25 | S4 | Li910 | 87.6(4) | |
| S7 | Li9 | Li83 | 78.1(5) | Si2 | S5 | Li15 | 89.04(10) | |
| S7 | Li9 | Li81 | 54.1(4) | Si2 | S5 | Li3 | 117.2(2) | |
| S7 | Li9 | Li10 | 86.6(5) | Si2 | S5 | Li89 | 78.9(3) | |
| S7 | Li9 | Li143 | 102.9(9) | Si2 | S5 | Li8 | 95.9(4) | |
| S7 | Li9 | S24 | 154.4(8) | Si2 | S5 | Li93 | 131.5(3) | |
| S7 | Li9 | S44 | 89.8(4) | Si2 | S5 | Li103 | 77.7(2) | |
| S7 | Li9 | S53 | 99.3(4) | Si2 | S5 | Li11 | 122.9(4) | |
| S7 | Li9 | S61 | 95.0(5) | Si2 | S5 | Li14 | 117.4(10) | |
| Si23 | Li10 | Li13 | 84.6(3) | Li15 | S5 | Li93 | 132.7(4) | |
| Si23 | Li10 | Li33 | 76.3(3) | Li3 | S5 | Li15 | 72.17(17) | |
| Si23 | Li10 | Li9 | 88.1(4) | Li3 | S5 | Li89 | 163.7(4) | |
| Si23 | Li10 | Li1310 | 148.7(8) | Li3 | S5 | Li93 | 101.0(3) | |
| Li13 | Li10 | Li33 | 88.2(3) | Li3 | S5 | Li103 | 83.2(3) | |
| Li13 | Li10 | Li9 | 161.2(4) | Li3 | S5 | Li11 | 95.3(4) | |
| Li89 | Li10 | Si23 | 98.7(5) | Li89 | S5 | Li15 | 107.2(3) | |
| Li89 | Li10 | Li13 | 75.2(4) | Li8 | S5 | Li15 | 82.8(3) | |
| Li89 | Li10 | Li33 | 163.1(5) | Li8 | S5 | Li3 | 137.3(4) | |
| Li89 | Li10 | Li9 | 123.1(5) | Li8 | S5 | Li89 | 30.2(7) | |
| Li89 | Li10 | Li113 | 120.5(6) | Li8 | S5 | Li93 | 71.3(5) | |
| Li89 | Li10 | Li1310 | 110.8(8) | Li89 | S5 | Li93 | 67.0(4) | |
| Li89 | Li10 | I13 | 115.9(5) | Li8 | S5 | Li103 | 132.6(4) | |
| Li89 | Li10 | S53 | 137.3(5) | Li8 | S5 | Li11 | 87.5(6) | |
| Li89 | Li10 | S6 | 64.7(4) | Li8 | S5 | Li14 | 32.3(9) | |
| Li89 | Li10 | S73 | 62.4(4) | Li103 | S5 | Li15 | 142.8(2) | |
| Li9 | Li10 | Li33 | 73.3(4) | Li103 | S5 | Li89 | 104.1(4) | |
| Li113 | Li10 | Si23 | 95.2(5) | Li103 | S5 | Li93 | 78.4(5) | |
| Li113 | Li10 | Li13 | 164.0(5) | Li11 | S5 | Li15 | 147.5(5) | |
| Li113 | Li10 | Li33 | 76.2(4) | Li11 | S5 | Li89 | 76.5(5) | |
| Li113 | Li10 | Li9 | 7.2(4) | Li11 | S5 | Li93 | 18.5(4) | |
| Li113 | Li10 | Li1310 | 61.3(7) | Li11 | S5 | Li103 | 60.1(6) | |
| Li113 | Li10 | I13 | 108.3(5) | Li14 | S5 | Li15 | 61.9(9) | |
| Li113 | Li10 | S53 | 59.3(4) | Li14 | S5 | Li3 | 105.2(10) | |
| Li1310 | Li10 | Li13 | 112.3(6) | Li14 | S5 | Li89 | 62.2(11) | |
| Li1310 | Li10 | Li33 | 78.1(7) | Li14 | S5 | Li93 | 76.0(10) | |
| Li1310 | Li10 | Li9 | 67.5(6) | Li14 | S5 | Li103 | 154.2(10) | |
| Li149 | Li10 | Si23 | 113.2(18) | Li14 | S5 | Li11 | 94.5(11) | |
| Li149 | Li10 | Li13 | 55.8(17) | Si2 | S6 | Li210 | 95.42(13) | |
| Li149 | Li10 | Li33 | 139.7(17) | Si2 | S6 | Li89 | 82.2(3) | |
| Li149 | Li10 | Li89 | 27.9(18) | Si2 | S6 | Li95 | 118.7(3) | |
| Li149 | Li10 | Li9 | 142.5(17) | Si2 | S6 | Li10 | 101.1(2) | |
| Li149 | Li10 | Li113 | 137.0(17) | Si2 | S6 | Li113 | 82.3(3) | |
| Li149 | Li10 | Li1310 | 97.9(19) | Si2 | S6 | Li1310 | 146.2(6) | |
| Li149 | Li10 | I13 | 88.0(18) | Si2 | S6 | Li149 | 105.3(10) | |
| Li149 | Li10 | S53 | 157.2(18) | Li210 | S6 | Li89 | 158.5(4) | |
| Li149 | Li10 | S6 | 72.2(18) | Li210 | S6 | Li95 | 93.3(3) | |
| Li149 | Li10 | S73 | 69.5(19) | Li210 | S6 | Li113 | 91.3(4) | |
| I13 | Li10 | Si23 | 116.2(3) | Li210 | S6 | Li1310 | 73.5(5) | |
| I13 | Li10 | Li13 | 58.3(2) | Li89 | S6 | Li95 | 69.8(4) | |
| I13 | Li10 | Li33 | 55.0(2) | Li89 | S6 | Li113 | 109.4(5) | |
| I13 | Li10 | Li9 | 110.6(4) | Li89 | S6 | Li1310 | 119.4(6) | |
| I13 | Li10 | Li1310 | 60.0(5) | Li10 | S6 | Li210 | 144.6(3) | |
| S53 | Li10 | Si23 | 44.00(17) | Li10 | S6 | Li89 | 55.9(4) | |
| S53 | Li10 | Li13 | 112.3(3) | Li10 | S6 | Li95 | 105.5(4) | |
| S53 | Li10 | Li33 | 47.1(2) | Li10 | S6 | Li113 | 60.7(5) | |
| S53 | Li10 | Li9 | 52.4(3) | Li10 | S6 | Li1310 | 75.5(6) | |
| S53 | Li10 | Li1310 | 104.8(7) | Li113 | S6 | Li95 | 157.8(4) | |
| S53 | Li10 | I13 | 101.9(4) | Li1310 | S6 | Li95 | 94.1(7) | |
| S6 | Li10 | Si23 | 135.2(4) | Li1310 | S6 | Li113 | 66.5(7) | |
| S6 | Li10 | Li13 | 125.3(5) | Li149 | S6 | Li210 | 159.2(10) | |
| S6 | Li10 | Li33 | 130.0(4) | Li149 | S6 | Li89 | 32.2(10) | |
| S6 | Li10 | Li9 | 71.2(4) | Li149 | S6 | Li95 | 77.8(8) | |
| S6 | Li10 | Li113 | 65.0(4) | Li149 | S6 | Li10 | 29.9(9) | |
| S6 | Li10 | Li1310 | 56.2(6) | Li149 | S6 | Li113 | 90.5(9) | |
| S6 | Li10 | I13 | 108.3(4) | Li149 | S6 | Li1310 | 88.3(11) | |
| S6 | Li10 | S53 | 122.4(4) | Si2 | S7 | Li1 | 121.98(10) | |
| S6 | Li10 | S73 | 124.4(5) | Si2 | S7 | Li2 | 99.01(13) | |
| S73 | Li10 | Si23 | 44.19(16) | Si2 | S7 | Li81 | 121.9(3) | |
| S73 | Li10 | Li13 | 53.2(2) | Si2 | S7 | Li9 | 104.1(5) | |
| S73 | Li10 | Li33 | 105.1(3) | Si2 | S7 | Li103 | 79.8(3) | |
| S73 | Li10 | Li9 | 128.2(5) | Si2 | S7 | Li113 | 85.2(5) | |
| S73 | Li10 | Li113 | 134.3(6) | Si2 | S7 | Li141 | 108.3(8) | |
| S73 | Li10 | Li1310 | 164.4(7) | Li2 | S7 | Li1 | 71.70(17) | |
| S73 | Li10 | I13 | 108.9(3) | Li2 | S7 | Li81 | 139.0(3) | |
| S73 | Li10 | S53 | 87.8(3) | Li2 | S7 | Li103 | 140.9(3) | |
| Si23 | Li11 | Li511 | 103.6(7) | Li2 | S7 | Li113 | 109.3(4) | |
| Si23 | Li11 | Li89 | 78.0(4) | Li81 | S7 | Li1 | 83.4(3) | |
| Si23 | Li11 | Li8 | 100.8(5) | Li81 | S7 | Li103 | 54.9(4) | |
| Li89 | Li11 | Li511 | 158.0(8) | Li81 | S7 | Li113 | 79.1(5) | |
| Li8 | Li11 | Li511 | 148.1(6) | Li9 | S7 | Li1 | 133.9(5) | |
| Li89 | Li11 | Li8 | 22.9(6) | Li9 | S7 | Li2 | 100.9(3) | |
| Li93 | Li11 | Si23 | 112.4(16) | Li9 | S7 | Li81 | 73.5(5) | |
| Li93 | Li11 | Li511 | 131.4(15) | Li9 | S7 | Li103 | 117.5(4) | |
| Li93 | Li11 | Li89 | 64.6(13) | Li9 | S7 | Li113 | 19.5(4) | |
| Li93 | Li11 | Li8 | 52.7(13) | Li103 | S7 | Li1 | 76.1(3) | |
| Li93 | Li11 | Li103 | 150.7(17) | Li103 | S7 | Li113 | 109.5(5) | |
| Li93 | Li11 | Li1311 | 135.1(17) | Li113 | S7 | Li1 | 152.7(5) | |
| Li93 | Li11 | S212 | 84.5(13) | Li141 | S7 | Li1 | 64.5(9) | |
| Li93 | Li11 | S5 | 91.1(15) | Li141 | S7 | Li2 | 135.8(9) | |
| Li93 | Li11 | S63 | 147.7(18) | Li141 | S7 | Li81 | 32.2(9) | |
| Li93 | Li11 | S73 | 72.5(14) | Li141 | S7 | Li9 | 105.2(10) | |
| Li103 | Li11 | Si23 | 73.7(5) | Li141 | S7 | Li103 | 28.8(9) | |
| Li103 | Li11 | Li511 | 69.7(7) | Li141 | S7 | Li113 | 107.1(10) | |
| Li103 | Li11 | Li8 | 98.4(6) |
| A | B | C | D | Angle/˚ | A | B | C | D | Angle/˚ | |
|---|---|---|---|---|---|---|---|---|---|---|
| Si11 | Li4 | Li12 | Li5 | 96.3(5) | Li12 | Li4 | Li15 | S3 | 106(4) | |
| Si11 | Li4 | Li12 | Li52 | -83.7(5) | Li12 | Li5 | Li13 | Li2 | -61(7) | |
| Si11 | Li4 | Li12 | Li152 | 39(5) | Li12 | Li5 | Li13 | Li4 | -23.0(10) | |
| Si11 | Li4 | Li12 | Li15 | -141(5) | Li12 | Li5 | Li13 | Li42 | 23.4(12) | |
| Si11 | Li4 | Li12 | S13 | -147.8(4) | Li12 | Li5 | Li13 | Li61 | -133(5) | |
| Si11 | Li4 | Li12 | S11 | 32.2(4) | Li12 | Li5 | Li13 | Li108 | 143.7(18) | |
| Si11 | Li4 | Li12 | S23 | 138.8(5) | Li12 | Li5 | Li13 | Li119 | 74(5) | |
| Si11 | Li4 | Li12 | S21 | -41.2(5) | Li12 | Li5 | Li13 | I19 | 147(3) | |
| Si11 | Li4 | Li12 | S32 | -56.3(10) | Li12 | Li5 | Li13 | S23 | 48(3) | |
| Si11 | Li4 | Li12 | S3 | 123.7(10) | Li12 | Li5 | Li13 | S3 | -58(3) | |
| Si11 | Li4 | Li15 | Li1 | -167.8(7) | Li12 | Li5 | Li13 | S68 | -150(6) | |
| Si11 | Li4 | Li15 | Li42 | 138(5) | Li144 | Li8 | Li14 | Li15 | -79(6) | |
| Si11 | Li4 | Li15 | Li52 | 85.6(8) | Li144 | Li8 | Li14 | Li84 | 0.01(3) | |
| Si11 | Li4 | Li15 | Li6 | -14.0(14) | Li144 | Li8 | Li14 | Li96 | 31(6) | |
| Si11 | Li4 | Li15 | Li71 | -37(3) | Li144 | Li8 | Li14 | Li104 | 156(4) | |
| Si11 | Li4 | Li15 | Li12 | 138(5) | Li144 | Li8 | Li14 | Li137 | 74(6) | |
| Si11 | Li4 | Li15 | Li132 | 75.2(8) | Li144 | Li8 | Li14 | I15 | -22(14) | |
| Si11 | Li4 | Li15 | I1 | 139(7) | Li144 | Li8 | Li14 | S5 | -28(6) | |
| Si11 | Li4 | Li15 | S13 | 145.3(8) | Li144 | Li8 | Li14 | S64 | 88(6) | |
| Si11 | Li4 | Li15 | S21 | 29.7(9) | Li144 | Li8 | Li14 | S75 | -133(5) | |
| Si11 | Li4 | Li15 | S3 | -115.7(8) | Li15 | Li4 | Li12 | Li52 | 57(5) | |
| Si24 | Li8 | Li14 | Li15 | 163.7(11) | Li152 | Li4 | Li12 | Li52 | -123(5) | |
| Si24 | Li8 | Li14 | Li84 | -117(6) | Li15 | Li4 | Li12 | Li5 | -123(5) | |
| Si24 | Li8 | Li14 | Li96 | -85.9(5) | Li152 | Li4 | Li12 | Li5 | 57(5) | |
| Si24 | Li8 | Li14 | Li104 | 39(4) | Li152 | Li4 | Li12 | Li15 | 180.00(2) | |
| Si24 | Li8 | Li14 | Li137 | -43(2) | Li15 | Li4 | Li12 | Li152 | 180.00(3) | |
| Si24 | Li8 | Li14 | I15 | -139(9) | Li152 | Li4 | Li12 | S11 | -7(5) | |
| Si24 | Li8 | Li14 | S5 | -144.9(5) | Li15 | Li4 | Li12 | S13 | -7(5) | |
| Si24 | Li8 | Li14 | S64 | -28.7(9) | Li152 | Li4 | Li12 | S13 | 173(5) | |
| Si24 | Li8 | Li14 | S75 | 109.8(7) | Li15 | Li4 | Li12 | S11 | 173(5) | |
| Li42 | Li4 | Li12 | Li52 | 33(12) | Li152 | Li4 | Li12 | S21 | -81(5) | |
| Li42 | Li4 | Li12 | Li5 | -147(12) | Li15 | Li4 | Li12 | S23 | -81(5) | |
| Li42 | Li4 | Li12 | Li152 | 156(15) | Li152 | Li4 | Li12 | S23 | 99(5) | |
| Li42 | Li4 | Li12 | Li15 | -24(15) | Li15 | Li4 | Li12 | S21 | 99(5) | |
| Li42 | Li4 | Li12 | S13 | -31(7) | Li152 | Li4 | Li12 | S3 | 84(5) | |
| Li42 | Li4 | Li12 | S11 | 149(7) | Li152 | Li4 | Li12 | S32 | -96(5) | |
| Li42 | Li4 | Li12 | S23 | -104(7) | Li15 | Li4 | Li12 | S3 | -96(5) | |
| Li42 | Li4 | Li12 | S21 | 76(7) | Li15 | Li4 | Li12 | S32 | 84(5) | |
| Li42 | Li4 | Li12 | S32 | 61(8) | Li152 | Li4 | Li15 | Li1 | 54(5) | |
| Li42 | Li4 | Li12 | S3 | -119(8) | Li152 | Li4 | Li15 | Li42 | -0.001(13) | |
| Li42 | Li4 | Li15 | Li1 | 54(5) | Li152 | Li4 | Li15 | Li52 | -53(4) | |
| Li42 | Li4 | Li15 | Li52 | -53(4) | Li152 | Li4 | Li15 | Li6 | -152(4) | |
| Li42 | Li4 | Li15 | Li6 | -152(4) | Li152 | Li4 | Li15 | Li71 | -175(3) | |
| Li42 | Li4 | Li15 | Li71 | -175(3) | Li152 | Li4 | Li15 | Li12 | 0.00(3) | |
| Li42 | Li4 | Li15 | Li12 | 0.00(4) | Li152 | Li4 | Li15 | Li132 | -63(4) | |
| Li42 | Li4 | Li15 | Li132 | -63(4) | Li152 | Li4 | Li15 | I1 | 0(12) | |
| Li42 | Li4 | Li15 | I1 | 0(12) | Li152 | Li4 | Li15 | S13 | 7(4) | |
| Li42 | Li4 | Li15 | S13 | 7(4) | Li152 | Li4 | Li15 | S21 | -109(4) | |
| Li42 | Li4 | Li15 | S21 | -109(4) | Li152 | Li4 | Li15 | S3 | 106(4) | |
| Li42 | Li4 | Li15 | S3 | 106(4) | Li152 | Li5 | Li13 | Li2 | -108(5) | |
| Li4 | Li5 | Li13 | Li2 | -38(7) | Li152 | Li5 | Li13 | Li42 | -23.9(13) | |
| Li42 | Li5 | Li13 | Li2 | -84(6) | Li152 | Li5 | Li13 | Li4 | -70(3) | |
| Li4 | Li5 | Li13 | Li42 | 46(2) | Li152 | Li5 | Li13 | Li61 | 179(4) | |
| Li42 | Li5 | Li13 | Li4 | -46(2) | Li152 | Li5 | Li13 | Li108 | 97(4) | |
| Li4 | Li5 | Li13 | Li61 | -110(4) | Li152 | Li5 | Li13 | Li119 | 27(6) | |
| Li42 | Li5 | Li13 | Li61 | -157(4) | Li152 | Li5 | Li13 | Li12 | -47(2) | |
| Li42 | Li5 | Li13 | Li108 | 120(3) | Li152 | Li5 | Li13 | I19 | 100(2) | |
| Li4 | Li5 | Li13 | Li108 | 166.7(12) | Li152 | Li5 | Li13 | S23 | 1(3) | |
| Li4 | Li5 | Li13 | Li119 | 97(5) | Li152 | Li5 | Li13 | S3 | -105(2) | |
| Li42 | Li5 | Li13 | Li119 | 51(6) | Li152 | Li5 | Li13 | S68 | 163(6) | |
| Li42 | Li5 | Li13 | Li12 | -23.4(12) | I19 | Li5 | Li13 | Li2 | 152(4) | |
| Li4 | Li5 | Li13 | Li12 | 23.0(10) | I19 | Li5 | Li13 | Li42 | -124(3) | |
| Li42 | Li5 | Li13 | I19 | 124(3) | I19 | Li5 | Li13 | Li4 | -170(3) | |
| Li4 | Li5 | Li13 | I19 | 170(3) | I19 | Li5 | Li13 | Li61 | 79(2) | |
| Li4 | Li5 | Li13 | S23 | 71(3) | I19 | Li5 | Li13 | Li108 | -3(4) | |
| Li42 | Li5 | Li13 | S23 | 25(3) | I19 | Li5 | Li13 | Li119 | -73(5) | |
| Li42 | Li5 | Li13 | S3 | -82(2) | I19 | Li5 | Li13 | Li12 | -147(3) | |
| Li4 | Li5 | Li13 | S3 | -35(3) | I19 | Li5 | Li13 | S23 | -98.8(9) | |
| Li42 | Li5 | Li13 | S68 | -173(6) | I19 | Li5 | Li13 | S3 | 154.6(7) | |
| Li4 | Li5 | Li13 | S68 | -127(7) | I19 | Li5 | Li13 | S68 | 63(8) | |
| Li52 | Li4 | Li12 | Li5 | 179.999(3) | S13 | Li4 | Li12 | Li5 | -115.9(4) | |
| Li5 | Li4 | Li12 | Li52 | 180.001(3) | S11 | Li4 | Li12 | Li52 | -115.9(4) | |
| Li5 | Li4 | Li12 | Li152 | -57(5) | S13 | Li4 | Li12 | Li52 | 64.1(4) | |
| Li52 | Li4 | Li12 | Li152 | 123(5) | S11 | Li4 | Li12 | Li5 | 64.1(4) | |
| Li5 | Li4 | Li12 | Li15 | 123(5) | S13 | Li4 | Li12 | Li15 | 7(5) | |
| Li52 | Li4 | Li12 | Li15 | -57(5) | S13 | Li4 | Li12 | Li152 | -173(5) | |
| Li5 | Li4 | Li12 | S11 | -64.1(4) | S11 | Li4 | Li12 | Li15 | -173(5) | |
| Li52 | Li4 | Li12 | S11 | 115.9(4) | S11 | Li4 | Li12 | Li152 | 7(5) | |
| Li5 | Li4 | Li12 | S13 | 115.9(4) | S11 | Li4 | Li12 | S13 | 180.000(4) | |
| Li52 | Li4 | Li12 | S13 | -64.1(4) | S13 | Li4 | Li12 | S11 | 180.000(4) | |
| Li52 | Li4 | Li12 | S21 | 42.4(8) | S11 | Li4 | Li12 | S23 | 106.6(8) | |
| Li5 | Li4 | Li12 | S23 | 42.4(8) | S11 | Li4 | Li12 | S21 | -73.4(8) | |
| Li5 | Li4 | Li12 | S21 | -137.6(8) | S13 | Li4 | Li12 | S21 | 106.6(8) | |
| Li52 | Li4 | Li12 | S23 | -137.6(8) | S13 | Li4 | Li12 | S23 | -73.4(8) | |
| Li5 | Li4 | Li12 | S32 | -152.6(8) | S11 | Li4 | Li12 | S32 | -88.5(7) | |
| Li5 | Li4 | Li12 | S3 | 27.4(8) | S13 | Li4 | Li12 | S32 | 91.5(7) | |
| Li52 | Li4 | Li12 | S32 | 27.4(8) | S11 | Li4 | Li12 | S3 | 91.5(7) | |
| Li52 | Li4 | Li12 | S3 | -152.6(8) | S13 | Li4 | Li12 | S3 | -88.5(7) | |
| Li52 | Li4 | Li15 | Li1 | 106.6(11) | S13 | Li4 | Li15 | Li1 | 46.9(11) | |
| Li5 | Li4 | Li15 | Li1 | -57(2) | S11 | Li4 | Li15 | Li1 | -137(2) | |
| Li52 | Li4 | Li15 | Li42 | 53(4) | S11 | Li4 | Li15 | Li42 | 169(7) | |
| Li5 | Li4 | Li15 | Li42 | -110(5) | S13 | Li4 | Li15 | Li42 | -7(4) | |
| Li5 | Li4 | Li15 | Li52 | -163.1(17) | S13 | Li4 | Li15 | Li52 | -59.7(6) | |
| Li52 | Li4 | Li15 | Li6 | -99.6(10) | S11 | Li4 | Li15 | Li52 | 116(3) | |
| Li5 | Li4 | Li15 | Li6 | 97.3(18) | S13 | Li4 | Li15 | Li6 | -159.3(10) | |
| Li5 | Li4 | Li15 | Li71 | 74(4) | S11 | Li4 | Li15 | Li6 | 17(3) | |
| Li52 | Li4 | Li15 | Li71 | -123(3) | S13 | Li4 | Li15 | Li71 | 178(3) | |
| Li52 | Li4 | Li15 | Li12 | 53(4) | S11 | Li4 | Li15 | Li71 | -6(5) | |
| Li5 | Li4 | Li15 | Li12 | -110(5) | S11 | Li4 | Li15 | Li12 | 169(7) | |
| Li5 | Li4 | Li15 | Li132 | -173.5(19) | S13 | Li4 | Li15 | Li12 | -7(4) | |
| Li52 | Li4 | Li15 | Li132 | -10.4(6) | S13 | Li4 | Li15 | Li132 | -70.1(7) | |
| Li52 | Li4 | Li15 | I1 | 53(8) | S11 | Li4 | Li15 | Li132 | 106(3) | |
| Li5 | Li4 | Li15 | I1 | -110(7) | S11 | Li4 | Li15 | I1 | 169(5) | |
| Li5 | Li4 | Li15 | S13 | -103.4(15) | S13 | Li4 | Li15 | I1 | -7(8) | |
| Li52 | Li4 | Li15 | S13 | 59.7(6) | S11 | Li4 | Li15 | S13 | 176(2) | |
| Li52 | Li4 | Li15 | S21 | -55.9(7) | S13 | Li4 | Li15 | S21 | -115.6(5) | |
| Li5 | Li4 | Li15 | S21 | 141.0(14) | S11 | Li4 | Li15 | S21 | 60(3) | |
| Li52 | Li4 | Li15 | S3 | 158.7(7) | S13 | Li4 | Li15 | S3 | 99.0(8) | |
| Li5 | Li4 | Li15 | S3 | -4(2) | S11 | Li4 | Li15 | S3 | -85(3) | |
| Li61 | Li5 | Li13 | Li2 | 73(5) | S21 | Li4 | Li12 | Li52 | -42.4(8) | |
| Li61 | Li5 | Li13 | Li42 | 157(4) | S21 | Li4 | Li12 | Li5 | 137.6(8) | |
| Li61 | Li5 | Li13 | Li4 | 110(4) | S21 | Li4 | Li12 | Li15 | -99(5) | |
| Li61 | Li5 | Li13 | Li108 | -83(5) | S21 | Li4 | Li12 | Li152 | 81(5) | |
| Li61 | Li5 | Li13 | Li119 | -152(4) | S21 | Li4 | Li12 | S11 | 73.4(8) | |
| Li61 | Li5 | Li13 | Li12 | 133(5) | S21 | Li4 | Li12 | S13 | -106.6(8) | |
| Li61 | Li5 | Li13 | I19 | -79(2) | S21 | Li4 | Li12 | S23 | 180.0 | |
| Li61 | Li5 | Li13 | S23 | -178.2(19) | S21 | Li4 | Li12 | S3 | 164.9(14) | |
| Li61 | Li5 | Li13 | S3 | 75(2) | S21 | Li4 | Li12 | S32 | -15.1(14) | |
| Li61 | Li5 | Li13 | S68 | -16(10) | S21 | Li4 | Li15 | Li1 | 162.5(14) | |
| Li71 | Li4 | Li15 | Li1 | -131(3) | S21 | Li4 | Li15 | Li42 | 109(4) | |
| Li71 | Li4 | Li15 | Li42 | 175(3) | S21 | Li4 | Li15 | Li52 | 55.9(7) | |
| Li71 | Li4 | Li15 | Li52 | 123(3) | S21 | Li4 | Li15 | Li6 | -43.7(8) | |
| Li71 | Li4 | Li15 | Li6 | 23(2) | S21 | Li4 | Li15 | Li71 | -67(3) | |
| Li71 | Li4 | Li15 | Li12 | 175(3) | S21 | Li4 | Li15 | Li12 | 109(4) | |
| Li71 | Li4 | Li15 | Li132 | 112(3) | S21 | Li4 | Li15 | Li132 | 45.5(7) | |
| Li71 | Li4 | Li15 | I1 | 176(10) | S21 | Li4 | Li15 | I1 | 109(8) | |
| Li71 | Li4 | Li15 | S13 | -178(3) | S21 | Li4 | Li15 | S13 | 115.6(5) | |
| Li71 | Li4 | Li15 | S21 | 67(3) | S21 | Li4 | Li15 | S3 | -145.4(9) | |
| Li71 | Li4 | Li15 | S3 | -79(3) | S23 | Li5 | Li13 | Li2 | -109(5) | |
| Li7 | Li5 | Li13 | Li2 | 72(6) | S23 | Li5 | Li13 | Li42 | -25(3) | |
| Li7 | Li5 | Li13 | Li42 | 156(6) | S23 | Li5 | Li13 | Li4 | -71(3) | |
| Li7 | Li5 | Li13 | Li4 | 109(5) | S23 | Li5 | Li13 | Li61 | 178.2(19) | |
| Li7 | Li5 | Li13 | Li61 | -1.0(16) | S23 | Li5 | Li13 | Li108 | 95(4) | |
| Li7 | Li5 | Li13 | Li108 | -84(5) | S23 | Li5 | Li13 | Li119 | 26(4) | |
| Li7 | Li5 | Li13 | Li119 | -153(3) | S23 | Li5 | Li13 | Li12 | -48(3) | |
| Li7 | Li5 | Li13 | Li12 | 132(6) | S23 | Li5 | Li13 | I19 | 98.8(9) | |
| Li7 | Li5 | Li13 | I19 | -80(3) | S23 | Li5 | Li13 | S3 | -106.6(8) | |
| Li7 | Li5 | Li13 | S23 | -179(3) | S23 | Li5 | Li13 | S68 | 162(9) | |
| Li7 | Li5 | Li13 | S3 | 74(4) | S3 | Li4 | Li12 | Li5 | -27.4(8) | |
| Li7 | Li5 | Li13 | S68 | -17(11) | S3 | Li4 | Li12 | Li52 | 152.6(8) | |
| Li84 | Li8 | Li14 | Li15 | -79(6) | S3 | Li4 | Li12 | Li15 | 96(5) | |
| Li84 | Li8 | Li14 | Li96 | 31(6) | S3 | Li4 | Li12 | Li152 | -84(5) | |
| Li84 | Li8 | Li14 | Li104 | 156(4) | S3 | Li4 | Li12 | S13 | 88.5(7) | |
| Li84 | Li8 | Li14 | Li137 | 74(6) | S3 | Li4 | Li12 | S11 | -91.5(7) | |
| Li84 | Li8 | Li14 | I15 | -22(14) | S3 | Li4 | Li12 | S21 | -164.9(14) | |
| Li84 | Li8 | Li14 | S5 | -28(6) | S3 | Li4 | Li12 | S23 | 15.1(14) | |
| Li84 | Li8 | Li14 | S64 | 88(6) | S3 | Li4 | Li12 | S32 | 180.000(1) | |
| Li84 | Li8 | Li14 | S75 | -133(5) | S3 | Li4 | Li15 | Li1 | -52.1(9) | |
| Li96 | Li8 | Li14 | Li15 | -110.4(14) | S3 | Li4 | Li15 | Li42 | -106(4) | |
| Li95 | Li8 | Li14 | Li15 | 64(2) | S3 | Li4 | Li15 | Li52 | -158.7(7) | |
| Li96 | Li8 | Li14 | Li84 | -31(6) | S3 | Li4 | Li15 | Li6 | 101.7(10) | |
| Li95 | Li8 | Li14 | Li84 | 143(6) | S3 | Li4 | Li15 | Li71 | 79(2) | |
| Li95 | Li8 | Li14 | Li96 | 174.0(11) | S3 | Li4 | Li15 | Li12 | -106(4) | |
| Li96 | Li8 | Li14 | Li104 | 125(4) | S3 | Li4 | Li15 | Li132 | -169.1(7) | |
| Li95 | Li8 | Li14 | Li104 | -61(4) | S3 | Li4 | Li15 | I1 | -106(8) | |
| Li95 | Li8 | Li14 | Li137 | -142.8(16) | S3 | Li4 | Li15 | S13 | -99.0(8) | |
| Li96 | Li8 | Li14 | Li137 | 43(2) | S3 | Li4 | Li15 | S21 | 145.4(9) | |
| Li96 | Li8 | Li14 | I15 | -53(9) | S3 | Li5 | Li13 | Li2 | -2(4) | |
| Li95 | Li8 | Li14 | I15 | 121(9) | S3 | Li5 | Li13 | Li42 | 82(2) | |
| Li96 | Li8 | Li14 | S5 | -58.9(5) | S3 | Li5 | Li13 | Li4 | 35(3) | |
| Li95 | Li8 | Li14 | S5 | 115.0(11) | S3 | Li5 | Li13 | Li61 | -75(2) | |
| Li96 | Li8 | Li14 | S64 | 57.3(7) | S3 | Li5 | Li13 | Li108 | -158(4) | |
| Li95 | Li8 | Li14 | S64 | -128.8(11) | S3 | Li5 | Li13 | Li119 | 133(5) | |
| Li96 | Li8 | Li14 | S75 | -164.2(8) | S3 | Li5 | Li13 | Li12 | 58(3) | |
| Li95 | Li8 | Li14 | S75 | 9.7(16) | S3 | Li5 | Li13 | I19 | -154.6(7) | |
| Li104 | Li8 | Li14 | Li15 | 125(4) | S3 | Li5 | Li13 | S23 | 106.6(8) | |
| Li104 | Li8 | Li14 | Li84 | -156(4) | S3 | Li5 | Li13 | S68 | -92(8) | |
| Li104 | Li8 | Li14 | Li96 | -125(4) | S5 | Li8 | Li14 | Li15 | -51.4(12) | |
| Li104 | Li8 | Li14 | Li137 | -82(4) | S54 | Li8 | Li14 | Li15 | 136.0(13) | |
| Li104 | Li8 | Li14 | I15 | -178(13) | S54 | Li8 | Li14 | Li84 | -145(7) | |
| Li104 | Li8 | Li14 | S5 | 176(4) | S5 | Li8 | Li14 | Li84 | 28(6) | |
| Li104 | Li8 | Li14 | S64 | -68(3) | S5 | Li8 | Li14 | Li96 | 58.9(5) | |
| Li104 | Li8 | Li14 | S75 | 71(3) | S54 | Li8 | Li14 | Li96 | -113.7(18) | |
| Li119 | Li5 | Li13 | Li2 | -135(8) | S54 | Li8 | Li14 | Li104 | 11(5) | |
| Li119 | Li5 | Li13 | Li42 | -51(6) | S5 | Li8 | Li14 | Li104 | -176(4) | |
| Li119 | Li5 | Li13 | Li4 | -97(5) | S54 | Li8 | Li14 | Li137 | -70(3) | |
| Li119 | Li5 | Li13 | Li61 | 152(4) | S5 | Li8 | Li14 | Li137 | 102(2) | |
| Li119 | Li5 | Li13 | Li108 | 69(4) | S5 | Li8 | Li14 | I15 | 6(9) | |
| Li119 | Li5 | Li13 | Li12 | -74(5) | S54 | Li8 | Li14 | I15 | -166(8) | |
| Li119 | Li5 | Li13 | I19 | 73(5) | S54 | Li8 | Li14 | S5 | -172.6(16) | |
| Li119 | Li5 | Li13 | S23 | -26(4) | S5 | Li8 | Li14 | S64 | 116.2(9) | |
| Li119 | Li5 | Li13 | S3 | -133(5) | S54 | Li8 | Li14 | S64 | -56(2) | |
| Li119 | Li5 | Li13 | S68 | 136(11) | S54 | Li8 | Li14 | S75 | 82(2) | |
| Li114 | Li8 | Li14 | Li15 | 79.0(17) | S5 | Li8 | Li14 | S75 | -105.3(9) | |
| Li114 | Li8 | Li14 | Li84 | 158(6) | S64 | Li8 | Li14 | Li15 | -167.6(19) | |
| Li114 | Li8 | Li14 | Li96 | -170.6(10) | S64 | Li8 | Li14 | Li84 | -88(6) | |
| Li114 | Li8 | Li14 | Li104 | -46(4) | S64 | Li8 | Li14 | Li96 | -57.3(7) | |
| Li114 | Li8 | Li14 | Li137 | -127.3(18) | S64 | Li8 | Li14 | Li104 | 68(3) | |
| Li114 | Li8 | Li14 | I15 | 137(9) | S64 | Li8 | Li14 | Li137 | -14.0(15) | |
| Li114 | Li8 | Li14 | S5 | 130.5(9) | S64 | Li8 | Li14 | I15 | -110(10) | |
| Li114 | Li8 | Li14 | S64 | -113.3(11) | S64 | Li8 | Li14 | S5 | -116.2(9) | |
| Li114 | Li8 | Li14 | S75 | 25.2(14) | S64 | Li8 | Li14 | S75 | 138.5(11) | |
| Li12 | Li4 | Li15 | Li1 | 54(5) | S75 | Li8 | Li14 | Li15 | 53.9(13) | |
| Li12 | Li4 | Li15 | Li42 | -0.001(17) | S75 | Li8 | Li14 | Li84 | 133(5) | |
| Li12 | Li4 | Li15 | Li52 | -53(4) | S75 | Li8 | Li14 | Li96 | 164.2(8) | |
| Li12 | Li4 | Li15 | Li6 | -152(4) | S75 | Li8 | Li14 | Li104 | -71(3) | |
| Li12 | Li4 | Li15 | Li71 | -175(3) | S75 | Li8 | Li14 | Li137 | -152(2) | |
| Li12 | Li4 | Li15 | Li132 | -63(4) | S75 | Li8 | Li14 | I15 | 111(10) | |
| Li12 | Li4 | Li15 | I1 | 0(12) | S75 | Li8 | Li14 | S5 | 105.3(9) | |
| Li12 | Li4 | Li15 | S13 | 7(4) | S75 | Li8 | Li14 | S64 | -138.5(11) | |
| Li12 | Li4 | Li15 | S21 | -109(4) |
| Atom | Occupancy | Atom | Occupancy | Atom | Occupancy | ||
|---|---|---|---|---|---|---|---|
| Li1 | 0.976(4) | Li3 | 0.894(4) | Li4 | 0.340(4) | ||
| Li5 | 0.368(4) | Li6 | 0.296(4) | Li7 | 0.472(4) | ||
| Li8 | 0.483(4) | Li9 | 0.56(2) | Li10 | 0.503(4) | ||
| Li11 | 0.44(2) | Li12 | 0.161(7) | Li13 | 0.221(4) | ||
| Li14 | 0.167(4) | Li15 | 0.200(4) |
Experimental
Single crystals of ILi7S7Si2 [MJR_RA_553_500K] were []. A suitable crystal was selected and [] on a dectris-CrysAlisPro-abstract goniometer imported dectris images diffractometer. The crystal was kept at 500.0 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 [MJR_RA_553_500K]
Crystal Data for ILi7S7Si2 (M =456.08 g/mol): monoclinic, space group P21/n (no. 14), a = 14.9817(2) Å, b = 6.05780(10) Å, c = 15.1891(2) Å, β = 105.7390(10)°, V = 1326.82(3) Å3, Z = 4, T = 500.0 K, μ(synchrotron) = 3.368 mm-1, Dcalc = 2.283 g/cm3, 26423 reflections measured (3.282° ≤ 2Θ ≤ 72.382°), 6367 unique (Rint = 0.0684, Rsigma = 0.0604) which were used in all calculations. The final R1 was 0.0370 (I > 2σ(I)) and wR2 was 0.1030 (all data).
Refinement model description
Number of restraints - 59, number of constraints - unknown.
Details:
1. Uiso/Uaniso restraints and constraints
Uanis(Li8) ≈ Ueq, Uanis(Li6) ≈ Ueq, Uanis(Li12) ≈ Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
2. Rigid body (RIGU) restrains
Li4, Li5, Li15, Li12, Li13, Li6
with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Others
1*[Sof(Li1)]+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)]=5 with esd of 0.0001
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.