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 = 3.73 GPa Note: occupancies not refined _database_code_amcsd 0018403 CELL PARAMETERS: 13.2160 20.1630 4.0300 90.000 90.000 90.000 SPACE GROUP: Bbmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1073.891 Density (g/cm3): 7.619 MAX. ABS. INTENSITY / VOLUME**2: 176.4938707 RIR: 7.543 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.77 4.74 10.0815 0 2 0 2 22.18 15.84 4.0078 2 4 0 4 23.07 4.76 3.8548 1 0 1 4 23.50 2.82 3.7862 1 1 1 8 24.73 29.03 3.6005 1 2 1 8 25.88 100.00 3.4422 2 5 0 4 26.52 1.66 3.3605 0 6 0 2 26.66 55.03 3.3438 1 3 1 8 26.99 23.65 3.3040 4 0 0 2 27.35 16.53 3.2605 4 1 0 4 28.43 2.88 3.1397 4 2 0 4 29.16 13.92 3.0620 1 4 1 8 29.83 12.25 2.9954 2 6 0 4 30.14 1.63 2.9651 4 3 0 4 30.39 39.66 2.9417 3 1 1 8 31.36 61.08 2.8520 3 2 1 8 32.94 30.90 2.7193 3 3 1 8 33.95 11.12 2.6405 2 7 0 4 35.62 2.91 2.5204 0 8 0 2 37.58 3.53 2.3932 3 5 1 8 39.04 15.40 2.3074 1 7 1 8 41.08 1.92 2.1971 5 1 1 8 41.60 1.37 2.1712 4 7 0 4 42.87 33.26 2.1095 1 8 1 8 43.08 11.75 2.0996 5 3 1 8 43.22 2.79 2.0931 6 3 0 4 44.77 24.13 2.0242 5 4 1 8 44.91 18.06 2.0184 6 4 0 4 44.96 9.42 2.0163 0 10 0 2 44.99 22.10 2.0150 0 0 2 2 46.88 10.01 1.9382 5 5 1 8 46.91 2.92 1.9370 1 9 1 8 47.01 5.61 1.9331 6 5 0 4 47.28 11.73 1.9226 3 8 1 8 49.13 6.79 1.8543 4 9 0 4 49.35 2.83 1.8466 5 6 1 8 49.48 2.66 1.8422 6 6 0 4 50.71 3.27 1.8003 2 4 2 8 51.04 8.08 1.7893 3 9 1 8 51.76 1.89 1.7663 2 11 0 4 52.16 6.90 1.7535 5 7 1 8 52.28 1.39 1.7497 6 7 0 4 52.63 25.86 1.7390 2 5 2 8 53.22 7.97 1.7211 4 10 0 4 53.25 6.87 1.7203 4 0 2 4 53.46 4.86 1.7141 4 1 2 8 53.60 5.22 1.7097 7 0 1 4 53.81 3.35 1.7036 7 1 1 8 54.08 1.00 1.6958 4 2 2 8 54.43 3.90 1.6856 7 2 1 8 54.62 1.07 1.6803 0 12 0 2 54.92 3.32 1.6719 2 6 2 8 55.28 2.64 1.6618 5 8 1 8 55.40 1.23 1.6585 6 8 0 4 55.84 4.83 1.6465 8 1 0 4 56.44 3.48 1.6303 8 2 0 4 56.87 1.12 1.6191 7 4 1 8 57.44 1.70 1.6042 8 3 0 4 57.54 4.34 1.6019 2 7 2 8 58.66 1.11 1.5738 0 8 2 4 61.96 2.99 1.4977 4 12 0 4 63.61 4.97 1.4629 3 12 1 8 64.15 1.48 1.4517 6 3 2 8 64.79 6.91 1.4389 1 13 1 8 65.45 9.93 1.4260 6 4 2 8 65.49 5.37 1.4253 0 10 2 4 66.61 1.04 1.4040 4 13 0 4 67.10 3.38 1.3950 6 5 2 8 67.83 1.39 1.3817 8 8 0 4 68.19 3.12 1.3752 3 13 1 8 68.81 4.24 1.3645 4 9 2 8 69.08 1.68 1.3596 6 6 2 8 69.11 3.33 1.3591 7 9 1 8 69.70 1.53 1.3491 1 14 1 8 70.39 1.51 1.3376 5 12 1 8 70.80 1.09 1.3308 9 4 1 8 70.87 2.33 1.3296 8 9 0 4 70.96 1.24 1.3282 2 11 2 8 71.17 1.23 1.3249 1 2 3 8 71.64 1.94 1.3172 2 15 0 4 72.05 2.69 1.3108 1 3 3 8 72.18 5.50 1.3087 4 10 2 8 72.39 7.19 1.3054 9 5 1 8 72.48 3.67 1.3040 7 10 1 8 72.95 1.35 1.2968 10 3 0 4 73.91 2.30 1.2823 3 1 3 8 74.32 1.42 1.2763 9 6 1 8 74.41 3.53 1.2750 8 1 2 8 74.43 3.56 1.2746 3 2 3 8 74.93 2.55 1.2674 8 2 2 8 75.30 2.13 1.2621 3 3 3 8 75.79 1.35 1.2551 8 3 2 8 76.57 3.01 1.2443 9 7 1 8 78.97 1.38 1.2123 1 7 3 8 79.42 1.64 1.2066 5 14 1 8 79.52 1.24 1.2054 6 14 0 4 79.78 2.56 1.2020 4 12 2 8 80.08 4.83 1.1984 7 12 1 8 80.12 1.09 1.1978 1 16 1 8 81.52 3.82 1.1807 1 8 3 8 81.67 1.30 1.1790 5 3 3 8 82.39 1.16 1.1704 10 8 0 4 82.66 1.61 1.1674 2 17 0 4 82.85 2.98 1.1651 5 4 3 8 84.02 1.02 1.1519 4 13 2 8 84.07 4.70 1.1514 11 0 1 4 84.37 1.49 1.1480 5 5 3 8 84.67 1.63 1.1447 3 8 3 8 85.15 1.33 1.1395 8 8 2 8 87.52 1.40 1.1146 3 9 3 8 88.00 2.36 1.1098 8 9 2 8 88.40 1.21 1.1058 5 7 3 8 88.73 1.97 1.1025 2 15 2 8 89.55 1.04 1.0945 7 0 3 4 89.98 1.41 1.0905 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.