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 = 2.90 GPa Note: occupancies not refined _database_code_amcsd 0018402 CELL PARAMETERS: 13.2800 20.2600 4.0448 90.000 90.000 90.000 SPACE GROUP: Bbmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1088.265 Density (g/cm3): 7.518 MAX. ABS. INTENSITY / VOLUME**2: 173.9058179 RIR: 7.532 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.73 4.79 10.1300 0 2 0 2 22.07 15.56 4.0271 2 4 0 4 22.98 4.57 3.8693 1 0 1 4 23.41 2.92 3.8006 1 1 1 8 24.63 28.79 3.6146 1 2 1 8 25.76 100.00 3.4588 2 5 0 4 26.39 1.81 3.3767 0 6 0 2 26.55 54.75 3.3573 1 3 1 8 26.85 23.84 3.3200 4 0 0 2 27.22 16.09 3.2763 4 1 0 4 28.29 2.93 3.1549 4 2 0 4 29.04 13.60 3.0748 1 4 1 8 29.68 12.37 3.0098 2 6 0 4 29.99 1.48 2.9794 4 3 0 4 30.25 39.41 2.9541 3 1 1 8 31.23 60.27 2.8642 3 2 1 8 32.79 31.45 2.7310 3 3 1 8 33.78 10.93 2.6532 2 7 0 4 35.45 2.70 2.5325 0 8 0 2 37.41 3.21 2.4038 3 5 1 8 38.86 14.85 2.3176 1 7 1 8 40.89 1.80 2.2069 5 1 1 8 41.39 1.43 2.1817 4 7 0 4 42.67 33.32 2.1190 1 8 1 8 42.88 11.92 2.1091 5 3 1 8 43.00 2.78 2.1033 6 3 0 4 44.56 24.26 2.0334 5 4 1 8 44.68 17.48 2.0281 6 4 0 4 44.73 9.34 2.0260 0 10 0 2 44.81 21.84 2.0224 0 0 2 2 46.65 9.66 1.9470 5 5 1 8 46.68 2.88 1.9458 1 9 1 8 46.77 5.93 1.9424 6 5 0 4 47.05 11.89 1.9314 3 8 1 8 48.88 6.52 1.8632 4 9 0 4 49.11 2.88 1.8551 5 6 1 8 49.22 2.55 1.8511 6 6 0 4 50.50 3.13 1.8073 2 4 2 8 50.79 7.72 1.7975 3 9 1 8 51.49 1.98 1.7748 2 11 0 4 51.91 6.63 1.7616 5 7 1 8 52.01 1.43 1.7582 6 7 0 4 52.41 25.57 1.7459 2 5 2 8 52.94 7.98 1.7294 4 10 0 4 53.02 6.84 1.7272 4 0 2 4 53.23 4.66 1.7209 4 1 2 8 53.34 5.06 1.7176 7 0 1 4 53.54 3.47 1.7115 7 1 1 8 53.85 1.01 1.7026 4 2 2 8 54.16 3.70 1.6934 7 2 1 8 54.34 1.00 1.6883 0 12 0 2 54.68 3.31 1.6786 2 6 2 8 55.00 2.71 1.6695 5 8 1 8 55.11 1.15 1.6666 6 8 0 4 55.55 4.77 1.6545 8 1 0 4 56.15 3.54 1.6382 8 2 0 4 56.58 1.05 1.6266 7 4 1 8 57.14 1.62 1.6120 8 3 0 4 57.28 4.25 1.6084 2 7 2 8 58.40 1.01 1.5803 0 8 2 4 61.63 3.05 1.5049 4 12 0 4 63.28 4.63 1.4697 3 12 1 8 63.85 1.47 1.4578 6 3 2 8 64.46 6.94 1.4456 1 13 1 8 65.14 9.47 1.4321 6 4 2 8 65.18 5.25 1.4313 0 10 2 4 66.25 1.00 1.4108 4 13 0 4 66.77 3.54 1.4009 6 5 2 8 67.46 1.39 1.3883 8 8 0 4 67.83 3.14 1.3816 3 13 1 8 68.47 4.01 1.3703 4 9 2 8 68.74 3.41 1.3655 7 9 1 8 68.75 1.58 1.3655 6 6 2 8 69.33 1.45 1.3554 1 14 1 8 70.01 1.42 1.3439 5 12 1 8 70.42 1.15 1.3370 9 4 1 8 70.48 2.21 1.3360 8 9 0 4 70.61 1.27 1.3340 2 11 2 8 70.86 1.19 1.3298 1 2 3 8 71.04 1.00 1.3269 6 7 2 8 71.25 1.93 1.3236 2 15 0 4 71.74 2.61 1.3157 1 3 3 8 71.82 5.45 1.3144 4 10 2 8 72.00 6.91 1.3116 9 5 1 8 72.09 3.62 1.3101 7 10 1 8 72.55 1.34 1.3030 10 3 0 4 73.59 2.23 1.2872 3 1 3 8 73.91 1.42 1.2823 9 6 1 8 74.03 3.43 1.2806 8 1 2 8 74.10 3.44 1.2794 3 2 3 8 74.55 2.56 1.2729 8 2 2 8 74.97 2.12 1.2669 3 3 3 8 75.41 1.28 1.2606 8 3 2 8 76.14 2.91 1.2502 9 7 1 8 78.61 1.30 1.2170 1 7 3 8 78.97 1.59 1.2123 5 14 1 8 79.06 1.15 1.2112 6 14 0 4 79.36 2.59 1.2073 4 12 2 8 79.62 4.56 1.2040 7 12 1 8 81.14 3.73 1.1854 1 8 3 8 81.28 1.29 1.1836 5 3 3 8 81.91 1.17 1.1761 10 8 0 4 82.17 1.55 1.1730 2 17 0 4 82.46 2.91 1.1697 5 4 3 8 83.58 4.60 1.1568 11 0 1 4 83.96 1.42 1.1526 5 5 3 8 84.25 1.60 1.1493 3 8 3 8 84.68 1.30 1.1446 8 8 2 8 87.08 1.30 1.1191 3 9 3 8 87.51 2.19 1.1147 8 9 2 8 87.95 1.12 1.1103 5 7 3 8 88.23 1.93 1.1075 2 15 2 8 89.46 1.37 1.0954 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.