CaHBr Wyckoff R W G Crystal Structures 1 (1963) 294-296 Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure _database_code_amcsd 0011845 CELL PARAMETERS: 3.8580 3.8580 7.9110 90.000 90.000 90.000 SPACE GROUP: P4/nmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 117.749 Density (g/cm3): 3.412 MAX. ABS. INTENSITY / VOLUME**2: 73.64636915 RIR: 7.028 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.18 2.02 7.9110 0 0 1 2 22.48 13.75 3.9555 0 0 2 2 25.69 23.59 3.4676 1 0 1 8 32.42 100.00 2.7618 1 0 2 8 32.83 59.19 2.7280 1 1 0 4 34.00 3.86 2.6370 0 0 3 2 34.79 1.36 2.5790 1 1 1 8 40.15 12.13 2.2457 1 1 2 8 41.48 2.44 2.1770 1 0 3 8 45.88 3.64 1.9777 0 0 4 2 47.11 19.88 1.9290 2 0 0 4 47.98 5.09 1.8960 1 1 3 8 51.96 14.90 1.7600 1 0 4 8 52.80 4.55 1.7338 2 0 2 8 54.43 5.60 1.6857 2 1 1 16 57.56 6.89 1.6012 1 1 4 8 58.32 1.13 1.5822 0 0 5 2 58.35 29.35 1.5815 2 1 2 16 59.36 2.88 1.5569 2 0 3 8 67.87 3.61 1.3809 2 0 4 8 68.56 2.67 1.3687 1 1 5 8 68.83 5.20 1.3640 2 2 0 4 71.56 1.65 1.3185 0 0 6 2 72.73 9.29 1.3001 2 1 4 16 73.43 1.48 1.2895 2 2 2 8 74.79 1.06 1.2693 3 0 1 8 78.13 1.66 1.2233 2 0 5 8 78.15 5.24 1.2230 3 0 2 8 78.38 6.55 1.2200 3 1 0 8 79.04 1.20 1.2115 2 2 3 8 80.99 4.30 1.1871 1 1 6 8 82.79 2.10 1.1658 3 1 2 16 86.72 1.60 1.1229 2 2 4 8 88.25 1.75 1.1072 3 1 3 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.