Lillianite Olsen L A, Balic Zunic T, Makovicky E Inorganic Chemistry 47 (2008) 6756-6762 High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Locality: synthetic Note: P = 1.95 GPa Note: occupancies not refined _database_code_amcsd 0018401 CELL PARAMETERS: 13.3530 20.3670 4.0615 90.000 90.000 90.000 SPACE GROUP: Bbmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1104.568 Density (g/cm3): 7.407 MAX. ABS. INTENSITY / VOLUME**2: 171.4980836 RIR: 7.539 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.68 4.45 10.1835 0 2 0 2 17.42 1.01 5.0918 0 4 0 2 21.95 15.11 4.0487 2 4 0 4 22.89 4.43 3.8857 1 0 1 4 23.31 3.02 3.8169 1 1 1 8 24.52 28.33 3.6304 1 2 1 8 25.62 100.00 3.4773 2 5 0 4 26.25 1.81 3.3945 0 6 0 2 26.43 54.43 3.3724 1 3 1 8 26.70 23.70 3.3382 4 0 0 2 27.07 15.86 3.2943 4 1 0 4 28.13 3.03 3.1722 4 2 0 4 28.90 13.41 3.0890 1 4 1 8 29.52 12.37 3.0259 2 6 0 4 29.82 1.45 2.9957 4 3 0 4 30.11 39.40 2.9682 3 1 1 8 31.08 59.07 2.8779 3 2 1 8 32.63 31.40 2.7442 3 3 1 8 33.60 10.61 2.6673 2 7 0 4 35.25 2.55 2.5459 0 8 0 2 37.22 3.15 2.4157 3 5 1 8 38.66 14.46 2.3290 1 7 1 8 40.68 1.66 2.2182 5 1 1 8 41.16 1.46 2.1934 4 7 0 4 42.45 33.20 2.1295 1 8 1 8 42.65 11.95 2.1199 5 3 1 8 42.76 2.70 2.1148 6 3 0 4 44.32 24.10 2.0438 5 4 1 8 44.43 16.98 2.0392 6 4 0 4 44.48 9.31 2.0367 0 10 0 2 44.62 21.48 2.0308 0 0 2 2 46.40 9.41 1.9570 5 5 1 8 46.44 2.74 1.9555 1 9 1 8 46.50 6.10 1.9530 6 5 0 4 46.80 11.82 1.9412 3 8 1 8 48.61 6.23 1.8732 4 9 0 4 48.84 3.10 1.8646 5 6 1 8 48.94 2.49 1.8612 6 6 0 4 50.26 3.01 1.8152 2 4 2 8 50.52 7.61 1.8067 3 9 1 8 51.20 1.99 1.7842 2 11 0 4 51.62 6.20 1.7707 5 7 1 8 51.71 1.45 1.7677 6 7 0 4 52.16 25.23 1.7536 2 5 2 8 52.64 7.95 1.7387 4 10 0 4 52.76 6.76 1.7349 4 0 2 4 52.97 4.48 1.7287 4 1 2 8 53.04 5.09 1.7266 7 0 1 4 53.24 3.47 1.7204 7 1 1 8 53.58 1.05 1.7103 4 2 2 8 53.86 3.53 1.7023 7 2 1 8 54.41 3.25 1.6862 2 6 2 8 54.70 2.77 1.6781 5 8 1 8 54.79 1.16 1.6756 6 8 0 4 55.22 4.67 1.6635 8 1 0 4 55.81 3.57 1.6471 8 2 0 4 56.80 1.54 1.6209 8 3 0 4 57.00 4.14 1.6158 2 7 2 8 61.27 3.02 1.5129 4 12 0 4 62.91 4.38 1.4772 3 12 1 8 63.51 1.41 1.4648 6 3 2 8 64.09 6.83 1.4530 1 13 1 8 64.79 9.04 1.4389 6 4 2 8 64.83 5.18 1.4381 0 10 2 4 66.41 3.62 1.4077 6 5 2 8 67.05 1.35 1.3959 8 8 0 4 67.44 3.19 1.3887 3 13 1 8 68.10 3.76 1.3769 4 9 2 8 68.33 3.40 1.3727 7 9 1 8 68.37 1.52 1.3721 6 6 2 8 68.92 1.44 1.3624 1 14 1 8 69.59 1.37 1.3509 5 12 1 8 69.99 1.19 1.3442 9 4 1 8 70.05 2.14 1.3433 8 9 0 4 70.22 1.26 1.3404 2 11 2 8 70.53 1.13 1.3353 1 2 3 8 70.65 1.00 1.3333 6 7 2 8 70.82 1.92 1.3306 2 15 0 4 71.40 2.54 1.3212 1 3 3 8 71.42 5.36 1.3207 4 10 2 8 71.56 6.74 1.3186 9 5 1 8 71.65 3.58 1.3170 7 10 1 8 72.09 1.34 1.3102 10 3 0 4 73.22 2.19 1.2926 3 1 3 8 73.45 1.35 1.2892 9 6 1 8 73.60 3.30 1.2869 8 1 2 8 73.74 3.27 1.2849 3 2 3 8 74.12 2.54 1.2792 8 2 2 8 74.59 2.07 1.2723 3 3 3 8 74.97 1.21 1.2668 8 3 2 8 75.67 2.82 1.2569 9 7 1 8 78.20 1.20 1.2223 1 7 3 8 78.48 1.57 1.2187 5 14 1 8 78.56 1.06 1.2177 6 14 0 4 78.90 2.54 1.2132 4 12 2 8 79.13 4.19 1.2104 7 12 1 8 80.71 3.64 1.1906 1 8 3 8 80.85 1.24 1.1889 5 3 3 8 81.37 1.19 1.1825 10 8 0 4 81.65 1.52 1.1792 2 17 0 4 82.01 2.81 1.1749 5 4 3 8 83.03 4.47 1.1631 11 0 1 4 83.50 1.38 1.1577 5 5 3 8 83.79 1.53 1.1544 3 8 3 8 84.16 1.24 1.1503 8 8 2 8 86.60 1.26 1.1241 3 9 3 8 86.96 2.08 1.1204 8 9 2 8 87.45 1.01 1.1153 5 7 3 8 87.69 1.88 1.1129 2 15 2 8 88.89 1.35 1.1009 10 3 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.