CaSO4*0.5H2O Christensen A, Olesen M, Cerenius Y, Jensen T Chemistry of Materials 20 (2008) 2124-2132 Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Locality: synthetic _database_code_amcsd 0020850 CELL PARAMETERS: 6.9314 6.9314 12.7362 90.000 90.000 120.000 SPACE GROUP: P3_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 529.929 Density (g/cm3): 2.710 MAX. ABS. INTENSITY / VOLUME**2: 12.71596097 RIR: 1.528 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.76 89.06 6.0028 1 0 0 3 20.33 3.67 4.3681 1 0 2 3 25.70 2.89 3.4661 1 0 3 3 25.70 1.70 3.4661 0 1 3 3 25.70 56.90 3.4657 1 1 0 3 29.34 6.43 3.0441 2 -1 2 3 29.34 3.53 3.0441 1 1 2 3 29.77 100.00 3.0014 2 0 0 3 31.81 26.44 2.8128 1 0 4 3 31.81 68.78 2.8128 0 1 4 3 32.99 5.54 2.7150 0 2 2 3 32.99 1.72 2.7150 2 0 2 3 38.39 4.47 2.3447 1 1 4 3 38.39 1.87 2.3447 2 -1 4 3 39.73 1.21 2.2688 2 1 0 3 39.73 4.15 2.2688 1 2 0 3 41.34 4.94 2.1840 0 2 4 3 42.29 4.23 2.1373 -1 3 2 3 42.29 16.02 2.1373 1 2 2 3 42.29 1.29 2.1373 3 -1 2 3 42.59 9.81 2.1227 0 0 6 1 45.31 1.48 2.0013 0 1 6 3 47.64 7.14 1.9089 3 0 2 3 49.32 3.70 1.8477 1 2 4 3 49.32 13.64 1.8477 2 1 4 3 49.32 2.91 1.8477 -1 3 4 3 49.32 37.90 1.8477 3 -1 4 3 52.82 1.57 1.7331 0 2 6 3 52.83 5.72 1.7329 2 2 0 3 54.14 19.96 1.6942 0 3 4 3 54.91 1.06 1.6721 2 2 2 3 55.17 3.41 1.6649 3 1 0 3 55.17 8.70 1.6649 1 3 0 3 59.65 1.47 1.5501 -1 3 6 3 60.13 2.78 1.5388 1 0 8 3 60.86 2.41 1.5221 4 -2 4 3 61.82 1.09 1.5007 4 0 0 3 63.00 1.14 1.4754 3 1 4 3 63.00 2.03 1.4754 4 -1 4 3 63.00 1.17 1.4754 -1 4 4 3 64.40 1.81 1.4467 2 -1 8 3 64.40 1.86 1.4467 1 1 8 3 69.21 3.00 1.3575 4 0 4 3 72.10 1.29 1.3099 1 4 0 3 72.10 2.51 1.3099 4 1 0 3 72.54 3.81 1.3032 -1 3 8 3 72.54 6.38 1.3032 1 2 8 3 75.17 5.74 1.2640 -2 5 4 3 75.17 2.19 1.2640 2 3 4 3 76.46 6.26 1.2458 3 0 8 3 79.05 1.38 1.2114 5 -1 4 3 82.23 1.00 1.1724 4 -2 8 3 83.72 1.27 1.1552 3 3 0 3 86.67 2.67 1.1234 0 5 4 3 89.81 1.13 1.0920 0 4 8 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.