Perovskite Beran A, Libowitzky E The Canadian Mineralogist 34 (1996) 803-809 A single-crystal infrared spectroscopic and X-ray-diffraction study of untwinned San Benito perovskite containing OH groups _database_code_amcsd 0005501 CELL PARAMETERS: 5.3800 5.4400 7.6390 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 223.572 Density (g/cm3): 4.038 MAX. ABS. INTENSITY / VOLUME**2: 33.59094037 RIR: 2.709 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 23.25 10.42 3.8253 1 1 0 4 23.29 4.69 3.8195 0 0 2 2 26.05 3.09 3.4204 1 1 1 8 32.93 25.90 2.7200 0 2 0 2 33.14 100.00 2.7028 1 1 2 8 33.31 23.86 2.6900 2 0 0 2 35.02 1.04 2.5624 0 2 1 4 37.03 1.14 2.4274 1 2 0 4 37.29 1.71 2.4113 2 1 0 4 38.93 1.67 2.3134 1 2 1 8 39.14 3.88 2.3016 1 0 3 4 39.18 3.32 2.2995 2 1 1 8 40.72 5.09 2.2156 0 2 2 4 41.04 4.37 2.1993 2 0 2 4 42.66 2.20 2.1197 1 1 3 8 44.21 1.76 2.0487 1 2 2 8 44.43 1.23 2.0390 2 1 2 8 47.54 44.15 1.9126 2 2 0 4 47.62 23.66 1.9097 0 0 4 2 49.00 1.66 1.8589 0 2 3 4 49.10 2.03 1.8554 2 2 1 8 53.31 2.29 1.7184 1 3 0 4 53.59 1.97 1.7102 2 2 2 8 53.64 1.57 1.7086 1 1 4 8 54.75 3.71 1.6765 1 3 1 8 58.94 15.48 1.5671 1 3 2 8 59.11 10.44 1.5630 0 2 4 4 59.35 10.05 1.5572 2 0 4 4 59.42 22.79 1.5555 3 1 2 8 65.54 1.38 1.4244 1 3 3 8 69.06 4.31 1.3600 0 4 0 2 69.56 18.29 1.3514 2 2 4 8 69.94 4.05 1.3450 4 0 0 2 74.24 1.15 1.2774 1 3 4 8 78.87 2.53 1.2137 2 4 0 4 79.20 4.76 1.2095 3 3 2 8 79.31 6.18 1.2080 1 1 6 8 79.50 2.56 1.2057 4 2 0 4 85.09 1.02 1.1401 3 3 3 8 88.20 3.42 1.1078 0 4 4 4 89.02 3.39 1.0997 4 0 4 4 89.44 1.24 1.0956 2 4 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.