Hexahydrite Zalkin A, Ruben H, Templeton D H Acta Crystallographica 17 (1964) 235-240 The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate Locality: synthetic _database_code_amcsd 0009280 CELL PARAMETERS: 10.1100 7.2120 24.4100 90.000 98.300 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1761.172 Density (g/cm3): 1.723 MAX. ABS. INTENSITY / VOLUME**2: 4.387079104 RIR: 0.829 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.67 2.50 6.0386 0 0 4 2 15.14 1.41 5.8503 1 1 0 4 15.28 4.55 5.7990 -1 1 1 4 15.88 3.66 5.5791 1 1 1 4 16.27 45.13 5.4486 -1 1 2 4 17.39 38.93 5.0989 1 1 2 4 17.73 9.41 5.0021 2 0 0 2 17.97 3.71 4.9351 -1 1 3 4 18.19 30.47 4.8769 -2 0 2 2 19.49 6.58 4.5535 1 1 3 4 20.17 22.34 4.4022 2 0 2 2 20.22 100.00 4.3911 -1 1 4 4 21.37 13.83 4.1583 -2 0 4 2 22.03 48.52 4.0350 1 1 4 4 22.86 9.57 3.8897 -1 1 5 4 24.69 8.29 3.6060 0 2 0 2 24.70 13.60 3.6049 2 0 4 2 24.97 1.95 3.5665 0 2 1 4 25.78 15.04 3.4554 -1 1 6 4 25.78 1.32 3.4553 0 2 2 4 26.34 13.46 3.3838 -2 0 6 2 27.09 2.77 3.2910 0 2 3 4 27.94 15.67 3.1929 1 1 6 4 28.84 1.43 3.0960 0 2 4 4 28.91 1.34 3.0884 -1 1 7 4 29.25 1.65 3.0531 -3 1 1 4 29.47 9.11 3.0311 -3 1 2 4 29.59 1.19 3.0193 0 0 8 2 30.15 9.65 2.9640 -3 1 3 4 30.45 26.92 2.9360 2 0 6 2 30.47 10.51 2.9336 -2 2 1 4 30.84 38.29 2.8995 -2 2 2 4 30.95 2.36 2.8897 0 2 5 4 31.27 1.51 2.8602 -3 1 4 4 31.40 1.07 2.8493 3 1 2 4 31.65 3.99 2.8270 -2 2 3 4 32.09 12.37 2.7896 2 2 2 4 32.19 1.21 2.7804 -1 1 8 4 32.35 18.39 2.7677 -2 0 8 2 32.79 2.70 2.7310 -3 1 5 4 33.36 10.55 2.6860 0 2 6 4 33.46 10.62 2.6777 2 2 3 4 34.56 2.72 2.5952 1 1 8 4 34.67 1.90 2.5876 -3 1 6 4 34.85 6.68 2.5742 3 1 4 4 35.59 9.50 2.5224 -4 0 2 2 35.61 6.95 2.5214 -1 1 9 4 35.91 1.60 2.5010 4 0 0 2 36.41 3.06 2.4675 -2 2 6 4 36.85 1.58 2.4394 -3 1 7 4 36.86 1.29 2.4385 -4 0 4 2 38.51 3.14 2.3375 1 3 0 4 38.57 1.50 2.3342 -1 3 1 4 38.90 3.48 2.3150 0 2 8 4 39.13 3.66 2.3022 -1 1 10 4 39.29 7.63 2.2931 -3 1 8 4 39.52 6.92 2.2800 3 1 6 4 39.58 1.43 2.2769 -4 0 6 2 39.58 4.21 2.2768 2 2 6 4 39.79 6.02 2.2653 -1 3 3 4 40.55 1.68 2.2248 1 3 3 4 40.93 2.85 2.2050 -1 3 4 4 41.11 2.46 2.1955 -2 2 8 4 41.91 1.20 2.1555 1 3 4 4 42.39 1.31 2.1325 -1 3 5 4 43.53 1.57 2.0791 -4 0 8 2 43.80 3.05 2.0669 -4 2 2 4 43.81 2.60 2.0664 -2 2 9 4 44.17 1.41 2.0504 -4 2 3 4 44.87 3.29 2.0200 -4 2 4 4 44.93 1.20 2.0175 2 2 8 4 45.11 8.79 2.0100 3 1 8 4 45.53 4.54 1.9924 1 3 6 4 45.89 5.16 1.9775 -4 2 5 4 46.66 2.43 1.9465 -5 1 2 4 46.91 1.71 1.9370 4 2 3 4 47.07 1.77 1.9307 3 3 1 4 47.14 1.46 1.9280 5 1 0 4 48.44 1.15 1.8792 -1 3 8 4 48.45 8.14 1.8787 4 2 4 4 48.86 1.20 1.8640 5 1 2 4 48.87 6.73 1.8638 -3 3 5 4 49.09 5.14 1.8558 1 1 12 4 49.77 1.75 1.8319 -2 2 11 4 50.16 2.28 1.8188 1 3 8 4 50.23 1.78 1.8162 -3 3 6 4 50.63 1.72 1.8030 0 4 0 2 50.78 3.26 1.7980 0 4 1 4 51.32 4.49 1.7804 2 0 12 2 51.74 1.26 1.7668 5 1 4 4 51.87 3.97 1.7627 -3 3 7 4 52.03 2.53 1.7576 0 2 12 4 52.65 2.84 1.7383 -5 1 8 4 53.00 2.73 1.7277 -2 2 12 4 53.76 1.55 1.7050 -3 3 8 4 54.01 1.59 1.6978 -2 4 1 4 54.14 1.85 1.6941 -1 1 14 4 54.21 1.97 1.6919 -4 0 12 2 54.76 1.48 1.6764 -2 4 3 4 55.65 1.64 1.6517 5 1 6 4 56.67 1.61 1.6242 4 0 10 2 59.84 1.47 1.5457 -5 3 1 4 60.17 1.98 1.5379 5 3 0 4 60.44 2.11 1.5317 -4 2 12 4 60.80 1.15 1.5233 -3 3 11 4 61.18 1.01 1.5148 -5 3 5 4 61.25 1.35 1.5134 6 2 0 4 61.42 1.09 1.5096 0 0 16 2 61.93 2.25 1.4982 6 2 1 4 63.24 1.14 1.4703 0 2 15 4 65.36 1.72 1.4277 -3 1 16 4 66.78 2.01 1.4008 1 5 3 4 69.64 2.32 1.3501 5 3 7 4 76.04 1.20 1.2516 2 0 18 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.