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 = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 _database_code_amcsd 0018405 CELL PARAMETERS: 10.8910 22.6380 3.9926 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 984.377 Density (g/cm3): 8.311 MAX. ABS. INTENSITY / VOLUME**2: 88.94893985 RIR: 3.485 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.81 12.06 11.3190 0 2 0 2 11.27 3.91 7.8480 1 2 0 4 15.66 2.14 5.6595 0 4 0 2 16.74 1.14 5.2945 2 1 0 4 18.08 2.00 4.9071 2 2 0 4 20.11 2.66 4.4158 2 3 0 4 21.25 1.91 4.1807 1 5 0 4 22.66 53.77 3.9240 2 4 0 4 23.74 12.67 3.7486 1 0 1 4 24.84 88.44 3.5845 3 1 0 4 24.98 5.19 3.5651 1 6 0 4 25.02 47.54 3.5586 1 2 1 8 25.59 30.43 3.4814 2 5 0 4 25.77 17.20 3.4569 3 2 0 4 26.55 100.00 3.3572 1 3 1 8 27.26 3.14 3.2714 3 3 0 4 27.34 3.86 3.2625 0 4 1 4 27.99 2.01 3.1878 2 1 1 8 28.56 65.80 3.1253 1 4 1 8 28.79 51.91 3.1013 2 6 0 4 28.80 53.79 3.1002 1 7 0 4 30.18 49.52 2.9615 2 3 1 8 30.97 1.51 2.8874 1 5 1 8 31.59 1.01 2.8323 3 5 0 4 31.62 2.27 2.8298 0 8 0 2 31.98 99.37 2.7986 2 4 1 8 32.19 37.42 2.7806 2 7 0 4 32.65 3.45 2.7423 0 6 1 4 32.70 10.09 2.7388 1 8 0 4 32.90 1.80 2.7227 4 0 0 2 33.14 3.99 2.7033 4 1 0 4 33.36 32.50 2.6860 3 0 1 4 33.60 34.18 2.6673 3 1 1 8 33.70 3.75 2.6593 1 6 1 8 33.86 7.03 2.6472 4 2 0 4 34.17 40.48 2.6240 2 5 1 8 34.31 11.57 2.6134 3 2 1 8 35.47 4.13 2.5305 3 3 1 8 35.76 21.82 2.5110 2 8 0 4 36.69 3.40 2.4492 2 6 1 8 36.70 17.98 2.4487 1 7 1 8 37.05 6.20 2.4266 3 4 1 8 38.59 1.59 2.3333 4 5 0 4 38.99 1.77 2.3101 3 5 1 8 39.01 2.16 2.3087 0 8 1 4 39.49 6.37 2.2818 2 7 1 8 39.82 13.49 2.2638 0 10 0 2 39.92 27.94 2.2585 1 8 1 8 40.29 1.07 2.2384 4 1 1 8 40.87 2.22 2.2079 4 6 0 4 40.90 29.31 2.2063 4 2 1 8 41.26 3.00 2.1882 3 6 1 8 41.91 44.43 2.1557 4 3 1 8 42.53 3.48 2.1256 2 8 1 8 43.23 1.62 2.0928 5 3 0 4 43.28 11.54 2.0904 4 4 1 8 43.28 1.44 2.0904 2 10 0 4 43.32 2.67 2.0887 1 9 1 8 43.45 2.92 2.0829 4 7 0 4 44.57 13.52 2.0328 5 4 0 4 44.82 1.22 2.0222 1 11 0 4 45.43 51.57 1.9963 0 0 2 2 46.09 32.31 1.9693 0 10 1 4 46.25 4.97 1.9629 5 5 0 4 46.27 1.11 1.9620 4 8 0 4 46.88 3.27 1.9379 1 10 1 8 47.03 2.67 1.9321 4 6 1 8 47.73 4.81 1.9054 5 1 1 8 48.24 4.43 1.8865 0 12 0 2 48.24 32.05 1.8864 5 6 0 4 49.15 4.46 1.8536 5 3 1 8 49.20 4.02 1.8519 2 10 1 8 49.32 1.13 1.8476 4 9 0 4 49.35 11.02 1.8467 4 7 1 8 49.66 12.94 1.8360 3 9 1 8 50.26 4.84 1.8152 6 0 0 2 50.37 5.49 1.8115 5 4 1 8 50.44 4.46 1.8094 6 1 0 4 50.52 8.26 1.8066 5 7 0 4 51.01 16.16 1.7903 3 11 0 4 51.35 10.78 1.7793 2 4 2 8 51.93 21.99 1.7609 4 8 1 8 52.47 21.38 1.7441 3 1 2 8 52.54 1.22 1.7418 1 6 2 8 52.79 1.49 1.7341 2 11 1 8 52.87 7.69 1.7318 2 5 2 8 52.89 6.83 1.7310 3 10 1 8 52.97 4.50 1.7287 3 2 2 8 52.98 1.31 1.7284 6 4 0 4 53.27 4.38 1.7195 1 13 0 4 53.74 9.22 1.7057 0 12 1 4 53.74 7.73 1.7056 5 6 1 8 54.68 14.89 1.6786 2 6 2 8 54.69 15.83 1.6784 1 7 2 8 54.74 2.93 1.6768 4 9 1 8 54.84 10.41 1.6740 3 12 0 4 55.78 7.60 1.6480 6 1 1 8 56.26 7.22 1.6351 6 2 1 8 56.32 10.31 1.6336 3 11 1 8 56.54 2.77 1.6277 2 12 1 8 56.77 12.84 1.6217 2 7 2 8 56.95 1.55 1.6170 0 14 0 2 57.09 3.91 1.6132 1 8 2 8 57.38 1.35 1.6059 4 1 2 8 57.63 2.39 1.5995 1 14 0 4 57.85 2.70 1.5939 4 2 2 8 59.12 8.83 1.5626 2 8 2 8 59.56 1.19 1.5522 7 1 0 4 60.02 6.79 1.5414 7 2 0 4 60.44 1.06 1.5317 2 13 1 8 60.78 4.47 1.5238 7 3 0 4 61.02 1.15 1.5184 4 11 1 8 61.98 6.50 1.4973 0 10 2 4 62.56 8.21 1.4848 1 14 1 8 62.75 1.02 1.4808 4 6 2 8 63.40 2.83 1.4670 4 13 0 4 64.48 7.21 1.4450 2 14 1 8 64.67 1.53 1.4412 4 7 2 8 64.84 5.30 1.4379 7 2 1 8 65.54 7.61 1.4243 5 4 2 8 65.57 5.03 1.4236 7 3 1 8 66.82 3.21 1.4000 1 15 1 8 66.84 2.76 1.3996 5 5 2 8 67.35 5.09 1.3903 4 14 0 4 67.86 6.22 1.3811 6 9 1 8 67.89 2.24 1.3806 7 5 1 8 68.09 1.09 1.3770 4 13 1 8 68.42 2.65 1.3711 0 12 2 4 68.43 19.53 1.3711 5 6 2 8 68.69 8.03 1.3665 2 15 1 8 68.99 1.40 1.3613 6 11 0 4 70.06 2.99 1.3430 6 0 2 4 70.20 2.84 1.3406 6 1 2 8 70.27 5.27 1.3395 5 7 2 8 70.56 9.35 1.3347 6 10 1 8 70.68 10.36 1.3328 3 11 2 8 71.29 1.06 1.3229 7 7 1 8 71.36 1.91 1.3218 1 17 0 4 71.47 1.26 1.3200 4 15 0 4 71.91 2.36 1.3130 4 14 1 8 71.96 1.99 1.3121 1 2 3 8 72.23 1.55 1.3080 6 12 0 4 72.50 6.77 1.3037 8 5 0 4 72.56 2.95 1.3029 1 13 2 8 72.66 4.42 1.3013 1 3 3 8 73.38 3.92 1.2902 7 8 1 8 73.63 3.66 1.2865 1 4 3 8 73.89 7.57 1.2827 3 12 2 8 74.46 2.92 1.2743 2 3 3 8 75.42 6.19 1.2604 2 4 3 8 75.68 2.10 1.2566 6 13 0 4 75.69 1.11 1.2565 0 14 2 4 75.73 7.83 1.2560 7 9 1 8 75.81 2.26 1.2548 1 17 1 8 76.19 2.37 1.2495 3 0 3 4 76.20 1.42 1.2494 1 18 0 4 76.28 1.82 1.2482 1 14 2 8 76.33 2.14 1.2476 3 1 3 8 76.65 2.95 1.2431 2 5 3 8 76.93 1.65 1.2393 8 5 1 8 77.58 1.04 1.2306 2 17 1 8 77.97 4.46 1.2254 2 18 0 4 78.16 1.53 1.2229 1 7 3 8 78.32 1.84 1.2208 7 10 1 8 78.38 5.50 1.2200 7 2 2 8 78.43 2.72 1.2194 8 6 1 8 79.06 3.74 1.2113 7 3 2 8 79.92 2.41 1.2003 7 12 0 4 80.19 2.79 1.1970 1 8 3 8 80.83 3.21 1.1891 4 2 3 8 81.20 2.46 1.1847 5 15 1 8 81.22 1.37 1.1844 1 19 0 4 81.41 2.40 1.1821 4 13 2 8 81.51 4.95 1.1809 4 3 3 8 82.31 1.92 1.1715 2 18 1 8 82.45 1.27 1.1699 4 4 3 8 83.28 2.36 1.1602 7 13 0 4 83.60 5.84 1.1566 9 1 1 8 84.00 3.87 1.1521 9 2 1 8 84.43 4.11 1.1473 0 10 3 4 84.67 1.66 1.1447 9 3 1 8 84.94 1.07 1.1417 4 18 0 4 85.02 4.80 1.1409 4 14 2 8 85.35 11.01 1.1374 5 16 1 8 86.54 1.38 1.1247 6 11 2 8 86.85 1.79 1.1215 4 7 3 8 87.08 2.02 1.1191 3 9 3 8 88.77 1.95 1.1021 1 17 2 8 88.85 3.61 1.1014 4 8 3 8 88.88 1.35 1.1011 4 15 2 8 89.60 1.55 1.0941 6 12 2 8 89.61 1.23 1.0940 3 10 3 8 89.86 6.97 1.0916 8 5 2 8 89.86 1.11 1.0915 4 19 0 4 89.98 1.65 1.0905 9 9 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.