Bassanite Abriel W, Nesper R Zeitschrift fur Kristallographie 205 (1993) 99-113 Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Locality: synthetic _database_code_amcsd 0019827 CELL PARAMETERS: 12.0275 6.9312 12.6919 90.000 90.180 90.000 SPACE GROUP: I2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1058.055 Density (g/cm3): 2.733 MAX. ABS. INTENSITY / VOLUME**2: 9.064359563 RIR: 1.080 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.56 1.51 6.0832 0 1 1 2 14.73 50.23 6.0137 2 0 0 2 14.75 100.00 6.0054 1 1 0 2 20.34 3.53 4.3653 -1 1 2 2 20.38 1.76 4.3582 2 0 2 2 20.79 1.42 4.2735 2 1 1 2 22.25 2.18 3.9949 -1 0 3 2 22.30 2.17 3.9870 1 0 3 2 24.65 2.64 3.6111 0 1 3 2 25.67 54.58 3.4704 3 1 0 2 25.71 27.14 3.4656 0 2 0 1 28.80 1.08 3.0995 -2 1 3 2 28.87 1.07 3.0922 2 1 3 2 29.30 6.80 3.0483 -3 1 2 2 29.36 6.74 3.0416 0 2 2 2 29.37 6.74 3.0414 3 1 2 2 29.71 47.58 3.0069 4 0 0 2 29.75 94.88 3.0027 2 2 0 2 31.85 38.02 2.8099 -2 0 4 2 31.88 26.23 2.8073 -1 1 4 2 31.92 75.55 2.8036 1 1 4 2 31.93 12.99 2.8027 2 0 4 2 32.92 4.74 2.7206 -4 0 2 2 33.02 9.42 2.7125 2 2 2 2 38.39 3.37 2.3449 -3 1 4 2 38.47 3.34 2.3403 0 2 4 2 38.50 3.34 2.3386 3 1 4 2 39.66 2.20 2.2725 5 1 0 2 39.69 2.19 2.2712 4 2 0 2 39.73 2.19 2.2689 1 3 0 2 41.30 2.53 2.1860 -4 0 4 2 41.43 5.02 2.1792 2 2 4 2 42.20 9.32 2.1415 -5 1 2 2 42.30 9.25 2.1367 4 2 2 2 42.31 9.23 2.1361 1 3 2 2 42.75 16.60 2.1153 0 0 6 2 45.24 1.08 2.0046 6 0 0 2 45.30 2.16 2.0018 3 3 0 2 47.53 1.82 1.9132 -6 0 2 2 47.61 6.01 1.9099 -3 3 2 2 47.62 3.02 1.9098 6 0 2 2 47.66 3.61 1.9082 3 3 2 2 49.25 2.88 1.8501 -5 1 4 2 49.29 28.96 1.8489 -4 2 4 2 49.36 28.79 1.8461 -1 3 4 2 49.39 2.86 1.8451 1 3 4 2 49.40 28.70 1.8449 5 1 4 2 49.40 2.85 1.8447 4 2 4 2 52.75 6.50 1.7352 6 2 0 2 52.83 3.24 1.7328 0 4 0 1 52.99 1.63 1.7280 2 2 6 2 54.03 10.93 1.6971 -6 0 4 2 54.13 2.51 1.6942 -3 3 4 2 54.20 1.24 1.6923 6 0 4 2 54.22 21.56 1.6918 3 3 4 2 55.07 5.72 1.6677 7 1 0 2 55.12 5.71 1.6663 5 3 0 2 55.16 5.68 1.6651 2 4 0 2 59.62 1.21 1.5506 -5 1 6 2 59.79 1.19 1.5467 1 3 6 2 59.82 1.20 1.5461 4 2 6 2 60.32 2.53 1.5345 -1 1 8 2 60.39 1.26 1.5328 2 0 8 2 60.77 1.14 1.5242 -6 2 4 2 60.92 1.13 1.5208 0 4 4 2 60.92 1.14 1.5207 6 2 4 2 61.79 1.11 1.5013 4 4 0 2 62.95 2.36 1.4766 -5 3 4 2 63.03 2.34 1.4749 -2 4 4 2 63.05 2.34 1.4744 7 1 4 2 64.10 1.01 1.4528 3 3 6 2 64.52 1.63 1.4443 -3 1 8 2 64.61 1.63 1.4425 0 2 8 2 64.67 1.61 1.4414 3 1 8 2 69.18 2.94 1.3579 -4 4 4 2 69.24 1.47 1.3570 8 0 4 2 71.96 2.20 1.3122 9 1 0 2 72.04 2.20 1.3109 6 4 0 2 72.09 2.19 1.3101 3 5 0 2 72.57 6.44 1.3027 -5 1 8 2 72.75 6.37 1.2998 1 3 8 2 72.80 6.37 1.2991 4 2 8 2 75.01 4.44 1.2662 -8 2 4 2 75.21 4.40 1.2634 7 3 4 2 75.23 4.39 1.2631 1 5 4 2 76.57 8.38 1.2443 -3 3 8 2 76.73 4.17 1.2421 6 0 8 2 78.96 1.36 1.2125 -6 4 4 2 79.05 1.35 1.2114 -3 5 4 2 79.05 1.35 1.2113 9 1 4 2 82.22 1.34 1.1725 -6 2 8 2 82.42 1.34 1.1701 0 4 8 2 82.49 1.33 1.1693 6 2 8 2 83.58 4.77 1.1568 9 3 0 2 83.73 2.37 1.1552 0 6 0 1 84.17 1.10 1.1502 -5 3 8 2 84.27 1.09 1.1491 -2 4 8 2 84.40 1.09 1.1477 7 1 8 2 86.43 1.83 1.1258 -10 0 4 2 86.73 3.63 1.1227 5 5 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.