Omongwaite Freyer D, Reck G, Bremer M, Voigt W Monatshefte fur Chemie 130 (1999) 1179-1193 Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: supercell Locality: synthetic _database_code_amcsd 0014669 CELL PARAMETERS: 24.1781 13.8050 12.7074 90.000 90.089 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 4241.454 Density (g/cm3): 2.756 MAX. ABS. INTENSITY / VOLUME**2: 8.284728731 RIR: 0.979 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.14 1.27 8.7236 -1 1 1 2 14.65 52.43 6.0445 4 0 0 2 14.78 72.95 5.9942 2 2 0 2 20.26 5.12 4.3827 -4 0 2 2 20.29 1.92 4.3759 4 0 2 2 20.38 6.76 4.3584 2 2 2 2 24.66 1.04 3.6102 0 2 3 2 25.60 35.50 3.4800 6 2 0 2 25.81 20.65 3.4513 0 4 0 1 27.78 1.27 3.2113 -2 4 1 2 29.24 6.81 3.0539 -6 2 2 2 29.28 2.86 3.0505 6 2 2 2 29.45 6.18 3.0327 0 4 2 2 29.56 43.44 3.0223 8 0 0 2 29.81 100.00 2.9971 4 4 0 2 31.80 9.94 2.8139 -4 0 4 2 31.84 32.03 2.8103 4 0 4 2 31.87 72.35 2.8079 -2 2 4 2 31.89 32.57 2.8061 2 2 4 2 32.84 6.49 2.7276 8 0 2 2 33.04 6.34 2.7115 -4 4 2 2 38.34 5.37 2.3478 -6 2 4 2 38.39 3.92 2.3447 6 2 4 2 38.52 3.37 2.3374 0 4 4 2 39.49 2.25 2.2819 10 2 0 2 39.64 2.28 2.2737 8 4 0 2 41.26 2.27 2.1880 8 0 4 2 41.40 3.74 2.1809 -4 4 4 2 42.09 5.10 2.1466 10 2 2 2 42.20 5.29 2.1415 -8 4 2 2 42.44 3.13 2.1297 -2 6 2 2 42.69 8.08 2.1179 0 0 6 2 44.99 1.29 2.0148 12 0 0 2 45.39 1.83 1.9981 6 6 0 2 47.31 1.43 1.9214 -12 0 2 2 47.70 3.02 1.9065 -6 6 2 2 47.73 2.07 1.9056 6 6 2 2 49.12 20.14 1.8546 -10 2 4 2 49.20 2.24 1.8520 10 2 4 2 49.26 2.36 1.8500 -8 4 4 2 49.31 20.27 1.8479 8 4 4 2 49.48 2.52 1.8419 -2 6 4 2 49.50 17.32 1.8414 2 6 4 2 52.60 5.60 1.7400 12 4 0 2 53.07 3.63 1.7256 0 8 0 1 53.92 7.72 1.7003 12 0 4 2 54.21 13.78 1.6919 -6 6 4 2 54.25 2.01 1.6908 6 6 4 2 54.79 4.10 1.6754 14 2 0 2 55.10 3.90 1.6668 10 6 0 2 55.37 3.80 1.6593 4 8 0 2 60.21 1.08 1.5369 -4 0 8 2 60.29 2.42 1.5351 2 2 8 2 61.92 2.03 1.4986 8 8 0 2 62.65 2.27 1.4828 -14 2 4 2 63.01 1.65 1.4753 10 6 4 2 63.24 2.17 1.4705 4 8 4 2 64.45 1.73 1.4457 -6 2 8 2 64.52 1.93 1.4443 6 2 8 2 64.59 1.68 1.4429 0 4 8 2 69.36 1.48 1.3549 8 8 4 2 71.56 1.19 1.3185 18 2 0 2 72.06 1.20 1.3106 12 8 0 2 72.36 1.08 1.3060 6 10 0 2 72.56 3.41 1.3029 -8 4 8 2 72.56 3.46 1.3028 10 2 8 2 72.76 3.18 1.2998 -2 6 8 2 74.86 2.62 1.2684 16 4 4 2 74.94 2.44 1.2672 -14 6 4 2 75.49 2.46 1.2593 -2 10 4 2 76.28 2.06 1.2483 -12 0 8 2 76.67 3.68 1.2429 6 6 8 2 79.07 1.19 1.2111 12 8 4 2 83.30 1.99 1.1600 18 6 0 2 86.81 1.58 1.1219 -10 10 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.