Theophrastite Wyckoff R W G Crystal Structures 1 (1963) 239-444 Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure _database_code_amcsd 0011791 CELL PARAMETERS: 3.1170 3.1170 4.5950 90.000 90.000 120.000 SPACE GROUP: P-3m1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 38.662 Density (g/cm3): 3.895 MAX. ABS. INTENSITY / VOLUME**2: 64.53994218 RIR: 5.396 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.32 90.32 4.5950 0 0 1 2 33.19 36.64 2.6994 1 0 0 6 38.69 85.97 2.3275 0 1 1 6 38.69 14.03 2.3275 1 0 1 6 39.21 3.55 2.2975 0 0 2 2 52.29 23.87 1.7496 0 1 2 6 52.29 23.87 1.7496 1 0 2 6 59.29 20.66 1.5585 1 1 0 6 60.44 3.23 1.5317 0 0 3 2 62.98 16.71 1.4759 1 1 1 12 69.66 3.80 1.3497 2 0 0 6 70.72 9.73 1.3322 1 0 3 6 70.72 2.48 1.3322 0 1 3 6 73.07 2.24 1.2950 0 2 1 6 73.07 8.61 1.2950 2 0 1 6 73.41 3.79 1.2898 1 1 2 12 82.97 4.47 1.1637 0 2 2 6 82.97 4.47 1.1637 2 0 2 6 84.30 1.87 1.1487 0 0 4 2 89.77 5.14 1.0924 1 1 3 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.