Gypsum Pedersen B F, Semmingsen D Acta Crystallographica B38 (1982) 1074-1077 Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O Locality: Hampshire, England _database_code_amcsd 0020895 CELL PARAMETERS: 5.6790 15.2020 6.5220 90.000 118.430 90.000 SPACE GROUP: I2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 495.153 Density (g/cm3): 2.309 MAX. ABS. INTENSITY / VOLUME**2: 11.75761171 RIR: 1.658 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.64 78.27 7.6010 0 2 0 2 18.70 1.58 4.7446 1 1 0 4 20.75 100.00 4.2812 -1 2 1 4 23.41 10.29 3.8005 0 4 0 2 23.43 2.64 3.7975 0 3 1 4 28.15 4.00 3.1697 -1 1 2 4 29.14 69.59 3.0645 -1 4 1 4 31.12 46.59 2.8743 1 2 1 4 31.19 2.98 2.8677 0 0 2 2 32.10 9.22 2.7883 -2 1 1 4 32.80 1.15 2.7302 -1 3 2 4 33.40 34.91 2.6831 0 2 2 4 34.54 3.48 2.5970 1 5 0 4 34.63 2.11 2.5906 -2 0 2 2 35.97 10.50 2.4971 2 0 0 2 36.30 1.15 2.4751 -2 3 1 4 36.65 6.45 2.4521 -2 2 2 4 37.40 3.61 2.4044 1 4 1 4 40.69 12.30 2.2174 -1 5 2 4 42.22 1.63 2.1406 -2 4 2 4 43.36 14.23 2.0869 2 4 0 4 43.52 4.08 2.0794 -1 2 3 4 43.64 5.60 2.0740 -2 5 1 4 43.64 5.12 2.0739 1 1 2 4 44.27 4.43 2.0462 -2 1 3 4 45.55 2.72 1.9916 1 7 0 4 46.44 2.71 1.9552 2 1 1 4 47.87 1.03 1.9002 0 8 0 2 47.91 12.33 1.8987 0 6 2 4 48.44 11.28 1.8791 -1 4 3 4 48.82 2.53 1.8656 -3 1 2 4 50.38 11.37 1.8114 -2 6 2 4 50.73 5.00 1.7994 -3 2 1 4 51.06 1.05 1.7887 0 3 3 4 51.20 1.79 1.7840 -1 8 1 4 51.38 8.76 1.7785 2 6 0 4 54.48 1.90 1.6841 -3 2 3 4 55.17 5.42 1.6649 -3 4 1 4 55.91 2.96 1.6446 -1 6 3 4 56.80 2.58 1.6208 1 8 1 4 56.82 4.71 1.6204 -2 0 4 2 56.82 1.69 1.6203 0 9 1 4 58.21 1.24 1.5848 -2 2 4 4 58.24 1.47 1.5840 0 8 2 4 60.42 1.92 1.5322 -2 8 2 4 60.92 1.17 1.5206 -1 3 4 4 64.77 3.24 1.4394 1 4 3 4 65.05 1.64 1.4339 0 0 4 2 65.86 2.29 1.4182 -4 0 2 2 66.68 1.77 1.4026 3 2 1 4 68.75 3.76 1.3653 1 10 1 4 70.48 1.31 1.3361 3 4 1 4 71.08 1.38 1.3263 -3 8 1 4 71.24 2.07 1.3237 2 6 2 4 74.20 1.72 1.2781 -3 8 3 4 76.12 1.06 1.2505 -3 2 5 4 76.26 1.04 1.2485 4 0 0 2 76.31 1.22 1.2479 0 6 4 4 76.62 1.17 1.2435 -1 10 3 4 76.94 2.25 1.2392 -1 2 5 4 77.40 1.08 1.2330 -2 8 4 4 77.47 1.40 1.2320 4 2 0 4 79.66 1.59 1.2036 1 8 3 4 79.74 1.30 1.2026 -3 4 5 4 79.77 1.69 1.2022 2 8 2 4 83.41 1.05 1.1588 0 12 2 4 83.89 1.55 1.1533 -4 6 4 4 85.00 3.04 1.1411 -3 10 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.