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 = 0.0001 GPa Note: occupancies not refined _database_code_amcsd 0018400 CELL PARAMETERS: 13.5400 20.6370 4.1103 90.000 90.000 90.000 SPACE GROUP: Bbmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1148.521 Density (g/cm3): 7.124 MAX. ABS. INTENSITY / VOLUME**2: 165.3751188 RIR: 7.559 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.57 4.79 10.3185 0 2 0 2 15.66 1.14 5.6604 2 2 0 4 17.19 1.35 5.1592 0 4 0 2 21.66 15.47 4.1035 2 4 0 4 22.61 4.03 3.9331 1 0 1 4 23.02 3.27 3.8635 1 1 1 8 24.22 28.03 3.6751 1 2 1 8 25.27 100.00 3.5241 2 5 0 4 25.90 2.04 3.4395 0 6 0 2 26.10 55.17 3.4144 1 3 1 8 26.33 23.52 3.3850 4 0 0 2 26.69 15.63 3.3404 4 1 0 4 27.74 3.50 3.2164 4 2 0 4 28.54 12.86 3.1278 1 4 1 8 29.12 12.96 3.0664 2 6 0 4 29.41 1.17 3.0372 4 3 0 4 29.72 40.91 3.0065 3 1 1 8 30.67 58.35 2.9151 3 2 1 8 32.20 32.49 2.7798 3 3 1 8 33.14 10.71 2.7030 2 7 0 4 34.78 2.46 2.5796 0 8 0 2 36.72 2.69 2.4472 3 5 1 8 38.15 13.70 2.3590 1 7 1 8 40.11 1.14 2.2479 5 1 1 8 40.58 1.45 2.2232 4 7 0 4 41.88 33.67 2.1571 1 8 1 8 42.06 12.02 2.1482 5 3 1 8 42.14 2.92 2.1442 6 3 0 4 43.71 26.35 2.0711 5 4 1 8 43.79 16.60 2.0675 6 4 0 4 43.87 9.88 2.0637 0 10 0 2 44.06 22.16 2.0552 0 0 2 2 45.75 10.11 1.9832 5 5 1 8 45.81 3.05 1.9809 1 9 1 8 45.83 6.88 1.9800 6 5 0 4 46.16 12.94 1.9666 3 8 1 8 47.92 5.80 1.8984 4 9 0 4 48.16 3.66 1.8895 5 6 1 8 48.23 2.28 1.8868 6 6 0 4 49.61 3.06 1.8376 2 4 2 8 49.82 8.22 1.8304 3 9 1 8 50.48 2.25 1.8080 2 11 0 4 50.89 5.87 1.7943 5 7 1 8 50.96 1.81 1.7920 6 7 0 4 51.47 26.26 1.7753 2 5 2 8 51.89 8.24 1.7621 4 10 0 4 52.06 7.04 1.7567 4 0 2 4 52.26 4.44 1.7504 4 1 2 8 52.27 5.64 1.7502 7 0 1 4 52.47 3.89 1.7439 7 1 1 8 52.87 1.29 1.7318 4 2 2 8 53.07 3.12 1.7255 7 2 1 8 53.27 1.01 1.7197 0 12 0 2 53.69 3.50 1.7072 2 6 2 8 53.92 3.13 1.7005 5 8 1 8 53.99 1.31 1.6985 6 8 0 4 54.39 4.71 1.6868 8 1 0 4 54.98 3.98 1.6702 8 2 0 4 55.95 1.87 1.6435 8 3 0 4 56.23 4.59 1.6360 2 7 2 8 60.37 3.64 1.5332 4 12 0 4 62.01 4.10 1.4967 3 12 1 8 62.61 1.58 1.4837 6 3 2 8 63.16 7.64 1.4721 1 13 1 8 63.86 9.12 1.4576 6 4 2 8 63.93 5.65 1.4562 0 10 2 4 64.88 1.06 1.4373 4 13 0 4 65.46 4.34 1.4259 6 5 2 8 66.02 1.55 1.4151 8 8 0 4 66.45 3.77 1.4071 3 13 1 8 67.12 3.56 1.3945 4 9 2 8 67.30 3.73 1.3912 7 9 1 8 67.38 1.38 1.3899 6 6 2 8 67.91 1.41 1.3803 1 14 1 8 68.55 1.47 1.3689 5 12 1 8 68.91 1.38 1.3626 9 4 1 8 68.96 2.18 1.3617 8 9 0 4 69.21 1.43 1.3574 2 11 2 8 69.56 1.18 1.3514 1 2 3 8 69.61 1.30 1.3506 6 7 2 8 69.75 1.97 1.3482 2 15 0 4 70.38 5.82 1.3377 4 10 2 8 70.42 2.68 1.3371 1 3 3 8 70.45 7.47 1.3366 9 5 1 8 70.56 4.23 1.3348 7 10 1 8 70.94 1.43 1.3285 10 3 0 4 72.15 1.13 1.3092 6 8 2 8 72.20 2.48 1.3084 3 1 3 8 72.30 1.40 1.3068 9 6 1 8 72.49 3.43 1.3039 8 1 2 8 72.71 3.41 1.3006 3 2 3 8 72.99 2.91 1.2961 8 2 2 8 73.54 2.41 1.2878 3 3 3 8 73.83 1.57 1.2835 8 3 2 8 74.47 2.99 1.2740 9 7 1 8 77.08 1.17 1.2373 1 7 3 8 77.26 1.74 1.2349 5 14 1 8 77.32 1.05 1.2341 6 14 0 4 77.71 3.23 1.2289 4 12 2 8 77.87 4.15 1.2267 7 12 1 8 79.53 4.00 1.2052 1 8 3 8 79.65 1.31 1.2037 5 3 3 8 80.04 1.56 1.1989 10 8 0 4 80.36 1.84 1.1949 2 17 0 4 80.79 3.27 1.1896 5 4 3 8 81.65 5.21 1.1792 11 0 1 4 81.77 1.09 1.1778 4 13 2 8 81.94 1.06 1.1758 7 13 1 8 82.25 1.69 1.1722 5 5 3 8 82.54 1.73 1.1687 3 8 3 8 82.82 1.43 1.1655 8 8 2 8 85.27 1.46 1.1381 3 9 3 8 85.55 2.17 1.1352 8 9 2 8 86.10 1.00 1.1293 5 7 3 8 86.29 1.98 1.1273 2 15 2 8 87.19 1.17 1.1180 7 0 3 4 87.41 1.44 1.1157 10 3 2 8 88.92 2.41 1.1007 1 18 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.