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 = 5.27 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 _database_code_amcsd 0018404 CELL PARAMETERS: 11.0260 23.0230 4.0233 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1021.321 Density (g/cm3): 8.011 MAX. ABS. INTENSITY / VOLUME**2: 91.31186258 RIR: 3.711 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.68 10.53 11.5115 0 2 0 2 11.11 2.45 7.9627 1 2 0 4 14.06 1.34 6.2988 1 3 0 4 15.39 2.03 5.7558 0 4 0 2 17.38 1.05 5.1024 1 4 0 4 17.84 2.10 4.9722 2 2 0 4 19.83 2.34 4.4774 2 3 0 4 20.91 1.29 4.2490 1 5 0 4 22.33 48.60 3.9813 2 4 0 4 23.54 11.64 3.7795 1 0 1 4 24.53 82.31 3.6294 3 1 0 4 24.56 5.48 3.6240 1 6 0 4 24.79 45.04 3.5909 1 2 1 8 25.20 27.15 3.5341 2 5 0 4 25.44 15.32 3.5012 3 2 0 4 26.28 92.24 3.3906 1 3 1 8 26.90 3.06 3.3148 3 3 0 4 27.04 3.62 3.2976 0 4 1 4 27.72 2.05 3.2180 2 1 1 8 28.25 61.26 3.1593 1 4 1 8 28.32 54.86 3.1518 1 7 0 4 28.34 49.28 3.1494 2 6 0 4 29.86 47.99 2.9926 2 3 1 8 30.60 1.47 2.9214 1 5 1 8 31.08 1.64 2.8779 0 8 0 2 31.14 1.13 2.8725 3 5 0 4 31.62 100.00 2.8299 2 4 1 8 31.68 34.47 2.8245 2 7 0 4 32.14 9.70 2.7846 1 8 0 4 32.24 3.45 2.7768 0 6 1 4 32.48 1.96 2.7565 4 0 0 2 32.72 3.58 2.7370 4 1 0 4 33.01 29.26 2.7135 3 0 1 4 33.25 29.69 2.6949 3 1 1 8 33.27 3.70 2.6927 1 6 1 8 33.43 7.35 2.6807 4 2 0 4 33.76 39.53 2.6552 2 5 1 8 33.94 10.59 2.6412 3 2 1 8 35.08 3.98 2.5583 3 3 1 8 35.18 21.05 2.5512 2 8 0 4 36.20 13.29 2.4811 1 7 1 8 36.22 2.00 2.4800 2 6 1 8 36.61 4.98 2.4545 3 4 1 8 38.05 1.54 2.3651 4 5 0 4 38.46 2.26 2.3407 0 8 1 4 38.51 1.85 2.3378 3 5 1 8 38.96 5.63 2.3117 2 7 1 8 39.13 10.98 2.3023 0 10 0 2 39.35 21.82 2.2897 1 8 1 8 40.29 1.80 2.2387 4 6 0 4 40.43 25.11 2.2309 4 2 1 8 40.73 2.56 2.2155 3 6 1 8 41.41 42.90 2.1803 4 3 1 8 41.93 3.10 2.1545 2 8 1 8 42.55 1.96 2.1245 2 10 0 4 42.66 1.38 2.1194 5 3 0 4 42.68 2.39 2.1185 1 9 1 8 42.76 11.44 2.1149 4 4 1 8 42.80 3.10 2.1126 4 7 0 4 43.97 12.88 2.0592 5 4 0 4 44.04 1.04 2.0563 1 11 0 4 45.07 47.75 2.0117 0 0 2 2 45.39 33.92 1.9983 0 10 1 4 45.57 1.89 1.9907 4 8 0 4 45.61 4.53 1.9889 5 5 0 4 46.17 3.57 1.9662 1 10 1 8 46.42 3.05 1.9563 4 6 1 8 47.16 4.80 1.9270 5 1 1 8 47.38 4.06 1.9186 0 12 0 2 47.56 28.52 1.9120 5 6 0 4 48.45 3.38 1.8787 2 10 1 8 48.55 4.54 1.8752 5 3 1 8 48.55 1.57 1.8751 4 9 0 4 48.68 10.57 1.8705 4 7 1 8 48.93 12.42 1.8614 3 9 1 8 49.61 4.94 1.8377 6 0 0 2 49.74 5.92 1.8331 5 4 1 8 49.78 5.01 1.8318 6 1 0 4 49.78 8.34 1.8316 5 7 0 4 50.16 13.72 1.8188 3 11 0 4 50.85 9.88 1.7955 2 4 2 8 51.20 21.01 1.7842 4 8 1 8 51.97 1.32 1.7597 2 11 1 8 51.97 19.77 1.7595 3 1 2 8 51.99 1.28 1.7588 1 6 2 8 52.10 6.10 1.7556 3 10 1 8 52.26 1.04 1.7506 6 4 0 4 52.32 4.50 1.7486 1 13 0 4 52.33 6.87 1.7483 2 5 2 8 52.46 4.05 1.7442 3 2 2 8 52.87 9.34 1.7318 0 12 1 4 53.03 7.53 1.7269 5 6 1 8 53.91 9.60 1.7008 3 12 0 4 53.95 2.33 1.6996 4 9 1 8 54.08 16.24 1.6957 1 7 2 8 54.10 14.25 1.6953 2 6 2 8 55.09 6.98 1.6672 6 1 1 8 55.44 12.38 1.6573 3 11 1 8 55.55 6.55 1.6542 6 2 1 8 55.63 2.62 1.6522 2 12 1 8 55.91 1.84 1.6445 0 14 0 2 56.13 11.48 1.6386 2 7 2 8 56.43 3.73 1.6306 1 8 2 8 56.58 3.00 1.6265 1 14 0 4 56.80 1.22 1.6209 4 1 2 8 57.26 2.96 1.6090 4 2 2 8 58.42 8.29 1.5796 2 8 2 8 58.76 1.05 1.5715 7 1 0 4 59.21 6.04 1.5606 7 2 0 4 59.44 1.09 1.5551 2 13 1 8 59.95 4.62 1.5430 7 3 0 4 60.08 1.28 1.5400 4 11 1 8 61.18 5.19 1.5149 0 10 2 4 61.49 6.47 1.5079 1 14 1 8 62.32 2.95 1.4900 4 13 0 4 62.85 1.12 1.4786 2 15 0 4 63.39 6.89 1.4673 2 14 1 8 63.71 1.05 1.4607 2 10 2 8 63.90 1.66 1.4568 4 7 2 8 63.99 4.72 1.4550 7 2 1 8 64.70 4.75 1.4407 7 3 1 8 64.79 7.07 1.4390 5 4 2 8 65.65 2.78 1.4221 1 15 1 8 66.03 1.06 1.4150 4 8 2 8 66.06 2.54 1.4143 5 5 2 8 66.17 4.70 1.4123 4 14 0 4 66.86 5.69 1.3993 6 9 1 8 66.96 2.13 1.3976 7 5 1 8 67.46 2.43 1.3884 0 12 2 4 67.49 7.23 1.3879 2 15 1 8 67.60 17.29 1.3859 5 6 2 8 67.87 1.55 1.3809 6 11 0 4 68.40 1.01 1.3716 4 9 2 8 69.25 3.15 1.3568 6 0 2 4 69.39 3.21 1.3544 6 1 2 8 69.39 5.33 1.3543 5 7 2 8 69.49 8.75 1.3526 6 10 1 8 69.70 8.86 1.3491 3 11 2 8 69.99 1.48 1.3442 1 17 0 4 70.18 1.18 1.3410 4 15 0 4 70.69 1.60 1.3326 4 14 1 8 71.03 1.72 1.3271 6 12 0 4 71.31 1.85 1.3225 1 2 3 8 71.45 6.11 1.3204 8 5 0 4 71.49 3.06 1.3197 1 13 2 8 71.99 4.30 1.3117 1 3 3 8 72.30 3.83 1.3068 7 8 1 8 72.82 6.81 1.2988 3 12 2 8 72.93 3.37 1.2970 1 4 3 8 73.75 2.83 1.2847 2 3 3 8 74.39 1.83 1.2752 6 13 0 4 74.41 3.33 1.2749 1 17 1 8 74.53 1.36 1.2732 0 14 2 4 74.58 7.69 1.2724 7 9 1 8 74.68 6.28 1.2709 2 4 3 8 74.71 1.36 1.2705 1 18 0 4 75.11 2.23 1.2648 1 14 2 8 75.46 2.00 1.2598 3 0 3 4 75.59 2.01 1.2580 3 1 3 8 75.83 2.13 1.2545 8 5 1 8 75.88 2.78 1.2539 2 5 3 8 76.15 1.09 1.2501 2 17 1 8 76.45 3.97 1.2460 2 18 0 4 77.10 1.68 1.2370 7 10 1 8 77.28 2.35 1.2345 8 6 1 8 77.32 1.11 1.2340 1 7 3 8 77.40 4.81 1.2331 7 2 2 8 78.05 3.81 1.2243 7 3 2 8 78.58 2.38 1.2174 7 12 0 4 79.29 2.09 1.2083 1 8 3 8 79.59 1.25 1.2045 1 19 0 4 79.77 2.55 1.2022 5 15 1 8 80.00 2.59 1.1994 4 2 3 8 80.16 2.48 1.1973 4 13 2 8 80.65 4.69 1.1913 4 3 3 8 80.74 2.61 1.1902 2 18 1 8 81.56 1.33 1.1803 4 4 3 8 81.84 2.20 1.1770 7 13 0 4 82.39 6.11 1.1705 9 1 1 8 82.78 3.72 1.1660 9 2 1 8 83.28 1.26 1.1602 4 18 0 4 83.40 4.43 1.1588 0 10 3 4 83.43 1.36 1.1585 9 3 1 8 83.67 4.34 1.1559 4 14 2 8 83.80 11.09 1.1544 5 16 1 8 85.24 1.47 1.1385 6 11 2 8 85.83 1.60 1.1322 4 7 3 8 86.02 1.89 1.1302 3 9 3 8 87.22 1.46 1.1176 1 17 2 8 87.40 1.20 1.1158 4 15 2 8 87.76 3.49 1.1122 4 8 3 8 88.05 1.13 1.1093 4 19 0 4 88.20 1.71 1.1078 6 12 2 8 88.46 1.08 1.1052 3 10 3 8 88.49 1.70 1.1049 9 9 0 4 88.60 6.17 1.1038 8 5 2 8 88.85 1.42 1.1013 10 1 0 4 89.07 1.75 1.0992 0 12 3 4 89.20 1.42 1.0979 5 6 3 8 89.24 1.01 1.0976 10 2 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.