ThSe2 Wyckoff R W G Crystal Structures 1 (1963) 298-306 Second edition. Interscience Publishers, New York, New York _database_code_amcsd 0011880 CELL PARAMETERS: 9.0640 7.6100 4.4200 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 304.879 Density (g/cm3): 8.495 MAX. ABS. INTENSITY / VOLUME**2: 168.8073905 RIR: 6.471 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.20 2.69 5.8282 1 1 0 4 22.38 35.92 3.9728 1 0 1 4 22.84 68.73 3.8938 2 1 0 4 23.38 22.79 3.8050 0 2 0 2 25.29 48.54 3.5218 1 1 1 8 30.60 28.24 2.9218 2 1 1 8 30.68 2.46 2.9141 2 2 0 4 31.01 14.61 2.8837 0 2 1 4 31.87 9.31 2.8081 3 1 0 4 32.59 100.00 2.7480 1 2 1 8 36.01 49.78 2.4943 3 0 1 4 36.79 4.23 2.4428 1 3 0 4 36.95 1.54 2.4329 2 2 1 8 37.96 44.53 2.3702 3 1 1 8 38.03 4.90 2.3661 3 2 0 4 39.78 17.93 2.2660 4 0 0 2 40.76 48.52 2.2135 2 3 0 4 40.83 38.88 2.2100 0 0 2 2 42.27 35.75 2.1380 1 3 1 8 43.38 15.19 2.0860 3 2 1 8 46.65 14.62 1.9469 4 2 0 4 46.76 1.02 1.9427 3 3 0 4 47.29 18.13 1.9220 2 1 2 8 47.58 6.27 1.9110 0 2 2 4 47.81 6.35 1.9025 0 4 0 2 51.37 4.79 1.7785 3 3 1 8 51.85 2.53 1.7635 5 1 0 4 51.93 1.03 1.7609 2 2 2 8 52.14 2.00 1.7542 2 4 0 4 52.36 1.08 1.7475 0 4 1 4 52.71 4.12 1.7367 3 1 2 8 53.40 1.95 1.7159 1 4 1 8 56.12 2.30 1.6388 1 3 2 8 56.16 4.54 1.6379 5 1 1 8 56.21 1.37 1.6366 5 2 0 4 57.02 2.79 1.6151 3 2 2 8 58.32 10.50 1.5821 4 0 2 4 58.47 4.86 1.5785 4 3 1 8 59.07 29.42 1.5639 2 3 2 8 60.31 12.52 1.5347 5 2 1 8 61.28 2.28 1.5127 3 4 1 8 62.70 8.44 1.4818 6 1 0 4 63.70 10.23 1.4609 4 2 2 8 63.89 5.65 1.4571 4 4 0 4 64.03 1.60 1.4542 1 0 3 4 64.60 4.94 1.4428 2 5 0 4 64.64 4.56 1.4418 0 4 2 4 65.33 2.72 1.4284 1 1 3 8 65.70 11.60 1.4213 1 5 1 8 66.56 1.02 1.4049 6 1 1 8 66.88 11.00 1.3991 5 3 1 8 68.01 2.10 1.3784 5 1 2 8 68.04 2.43 1.3780 2 1 3 8 68.26 1.67 1.3740 2 4 2 8 68.26 1.29 1.3739 0 2 3 4 69.15 9.31 1.3584 1 2 3 8 71.20 5.60 1.3243 3 0 3 4 71.77 1.24 1.3152 5 2 2 8 72.44 5.42 1.3047 3 1 3 8 72.79 6.82 1.2992 3 5 1 8 72.88 2.13 1.2979 6 3 0 4 74.86 1.40 1.2683 0 6 0 2 75.33 5.29 1.2616 1 3 3 8 75.58 4.81 1.2581 5 4 1 8 76.11 2.27 1.2507 3 2 3 8 76.69 3.62 1.2426 7 0 1 4 77.57 8.23 1.2307 6 1 2 8 77.90 5.63 1.2264 7 1 1 8 78.65 5.58 1.2165 4 4 2 8 78.78 1.67 1.2148 4 5 1 8 79.29 4.48 1.2083 1 6 1 8 79.30 4.92 1.2081 2 5 2 8 81.81 1.15 1.1773 2 6 1 8 85.97 1.05 1.1307 5 1 3 8 85.98 2.41 1.1306 3 6 1 8 86.31 1.50 1.1271 5 5 1 8 87.07 2.41 1.1192 6 3 2 8 87.92 1.41 1.1105 4 3 3 8 88.30 1.99 1.1068 4 6 0 4 88.48 3.32 1.1050 0 0 4 2 88.98 1.66 1.1000 0 6 2 4 89.31 1.21 1.0969 4 5 2 8 89.51 3.57 1.0950 5 2 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.