Ghiaraite Thewalt U, Bugg C E Acta Crystallographica B29 (1973) 615-617 Crystal structure of calcium chloride tetrahydrate Locality: synthetic _database_code_amcsd 0020228 CELL PARAMETERS: 6.5930 6.3640 8.5570 97.770 93.520 110.560 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 330.777 Density (g/cm3): 1.757 MAX. ABS. INTENSITY / VOLUME**2: 2.707426706 RIR: 0.502 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.45 49.85 6.1304 1 0 0 2 15.08 91.25 5.8742 0 1 0 2 16.68 30.22 5.3149 -1 1 0 2 16.86 17.38 5.2583 -1 0 1 2 16.89 12.24 5.2484 0 -1 1 2 18.88 28.60 4.7004 1 0 1 2 19.30 100.00 4.5994 1 -1 1 2 19.83 2.19 4.4780 0 1 1 2 20.20 1.13 4.3962 -1 1 1 2 23.85 11.24 3.7310 0 -1 2 2 24.50 16.51 3.6327 1 1 0 2 24.96 51.48 3.5680 -1 -1 1 2 26.34 3.61 3.3835 1 -1 2 2 27.06 38.10 3.2947 1 0 2 2 27.50 3.20 3.2438 -2 1 0 2 27.68 15.25 3.2226 -1 1 2 2 28.07 22.90 3.1787 0 1 2 2 28.39 2.37 3.1433 1 1 1 2 28.53 35.04 3.1288 -1 2 0 2 29.13 32.55 3.0652 2 0 0 2 29.25 7.13 3.0537 1 -2 1 2 29.56 4.90 3.0214 -1 -1 2 2 29.83 5.80 2.9955 -2 0 1 2 29.83 32.73 2.9954 2 -1 1 2 30.43 62.76 2.9371 0 2 0 2 30.51 1.39 2.9303 0 -2 1 2 31.67 31.99 2.8253 -1 2 1 2 31.89 21.86 2.8066 0 0 3 2 32.23 4.23 2.7774 2 0 1 2 32.98 76.50 2.7158 0 -1 3 2 33.52 3.10 2.6734 -1 0 3 2 33.60 4.99 2.6675 1 -2 2 2 33.73 19.94 2.6575 -2 2 0 2 33.97 1.66 2.6390 0 2 1 2 34.10 73.82 2.6291 -2 0 2 2 34.17 23.33 2.6242 0 -2 2 2 34.36 17.99 2.6097 -2 1 2 2 34.89 21.53 2.5714 2 -2 1 2 35.41 9.96 2.5347 1 -1 3 2 35.94 16.22 2.4986 -2 2 1 2 36.75 6.42 2.4456 1 0 3 2 36.92 1.36 2.4344 -1 -1 3 2 36.96 9.64 2.4321 -1 1 3 2 37.52 30.72 2.3972 -2 -1 1 2 37.72 1.36 2.3851 2 1 0 2 37.77 63.08 2.3818 0 1 3 2 37.81 5.85 2.3795 -1 2 2 2 38.30 19.14 2.3502 2 0 2 2 39.17 20.72 2.2997 2 -2 2 2 40.28 20.92 2.2390 0 2 2 2 40.38 15.82 2.2335 -2 -1 2 2 40.55 9.88 2.2247 1 -2 3 2 40.56 1.42 2.2240 0 -2 3 2 40.66 24.91 2.2189 -1 -2 2 2 40.94 55.26 2.2045 2 1 1 2 40.97 16.56 2.2027 -2 0 3 2 41.06 28.70 2.1981 -2 2 2 2 41.16 4.91 2.1932 -3 1 0 2 41.89 19.29 2.1564 -2 1 3 2 41.90 2.29 2.1560 1 2 1 2 41.90 12.68 2.1560 -3 1 1 2 42.92 1.04 2.1074 1 -3 1 2 42.97 8.54 2.1050 0 0 4 2 43.08 2.30 2.0995 -1 3 0 2 43.15 5.49 2.0964 0 -1 4 2 43.29 30.42 2.0900 2 -1 3 2 43.80 12.65 2.0668 -1 0 4 2 43.82 7.70 2.0661 -3 2 0 2 44.06 5.91 2.0553 1 1 3 2 44.37 5.54 2.0415 -3 0 1 2 45.20 3.91 2.0062 3 -2 1 2 45.25 36.60 2.0041 2 -3 1 2 45.40 2.78 1.9976 -3 1 2 2 45.51 3.40 1.9933 1 -3 2 2 45.83 5.24 1.9798 2 -2 3 2 45.87 1.20 1.9783 -1 -2 3 2 45.93 4.92 1.9759 -1 -1 4 2 45.99 10.01 1.9735 -1 3 1 2 46.36 3.29 1.9586 2 0 3 2 46.37 4.03 1.9581 0 3 0 2 46.97 1.39 1.9345 3 0 1 2 47.37 8.62 1.9192 -2 3 1 2 47.83 7.04 1.9016 0 -3 2 2 47.97 1.15 1.8965 3 -1 2 2 48.31 1.45 1.8838 0 1 4 2 48.48 2.53 1.8779 0 2 3 2 48.82 1.33 1.8655 0 -2 4 2 49.22 3.78 1.8513 1 -2 4 2 49.47 2.71 1.8425 -2 -2 1 2 49.57 1.00 1.8388 -2 0 4 2 50.23 6.06 1.8164 2 2 0 2 51.21 5.90 1.7840 -2 -2 2 2 51.99 5.76 1.7590 3 0 2 2 52.15 4.20 1.7540 -2 3 2 2 52.19 1.19 1.7528 -3 0 3 2 52.29 18.51 1.7495 0 -3 3 2 52.49 1.88 1.7434 3 1 0 2 53.42 3.70 1.7153 2 2 1 2 54.00 1.81 1.6981 1 1 4 2 54.08 3.54 1.6959 0 -1 5 2 54.10 1.36 1.6952 1 3 0 2 54.22 8.05 1.6917 2 -2 4 2 54.66 4.32 1.6792 -1 -3 2 2 54.93 1.11 1.6715 0 3 2 2 55.19 4.87 1.6644 -3 2 3 2 55.24 2.86 1.6629 3 -3 2 2 55.40 6.14 1.6585 3 1 1 2 55.81 3.14 1.6473 2 0 4 2 56.26 9.27 1.6353 -4 1 0 2 56.76 14.23 1.6219 -4 2 0 2 57.32 6.10 1.6075 1 3 1 2 57.53 1.09 1.6020 -4 2 1 2 57.94 3.01 1.5917 -3 -1 3 2 58.32 1.96 1.5822 4 -1 1 2 58.42 2.43 1.5797 0 -2 5 2 58.45 2.01 1.5791 1 -4 1 2 58.52 2.20 1.5772 1 0 5 2 58.75 3.03 1.5716 2 2 2 2 59.05 2.88 1.5644 -2 4 0 2 59.12 1.06 1.5626 -1 4 0 2 59.21 1.88 1.5606 -3 0 4 2 59.44 2.12 1.5549 -2 0 5 2 59.60 1.03 1.5513 0 1 5 2 60.01 3.88 1.5416 1 -4 2 2 60.38 1.97 1.5331 3 -3 3 2 60.40 1.47 1.5326 4 0 0 2 61.57 1.11 1.5063 -2 4 1 2 61.96 3.87 1.4977 -4 0 2 2 61.96 2.25 1.4977 4 -2 2 2 62.19 5.39 1.4927 0 3 3 2 62.21 7.11 1.4923 -2 -1 5 2 62.53 1.31 1.4854 4 -1 2 2 62.61 2.94 1.4838 1 3 2 2 62.76 2.10 1.4805 4 -3 1 2 62.99 1.08 1.4756 2 -1 5 2 63.07 2.26 1.4740 3 -2 4 2 63.33 9.85 1.4686 0 4 0 2 63.48 1.39 1.4654 -3 3 3 2 64.04 1.14 1.4540 -3 -1 4 2 64.46 1.83 1.4456 -3 -2 2 2 64.65 2.83 1.4418 1 2 4 2 64.95 1.13 1.4358 1 1 5 2 65.21 1.60 1.4308 -3 4 1 2 65.34 4.29 1.4281 3 -4 2 2 65.56 2.54 1.4239 -4 2 3 2 65.77 4.96 1.4198 0 -1 6 2 65.93 1.15 1.4169 -4 0 3 2 66.10 4.78 1.4135 1 -3 5 2 66.15 2.34 1.4127 -2 4 2 2 66.40 2.09 1.4078 2 0 5 2 66.44 3.57 1.4071 -4 3 2 2 66.65 6.17 1.4033 0 0 6 2 67.23 2.88 1.3924 -1 3 4 2 67.30 7.56 1.3913 -2 2 5 2 68.06 2.42 1.3775 -2 -3 3 2 68.66 5.58 1.3670 4 -1 3 2 69.16 3.02 1.3584 -4 -1 2 2 69.19 4.73 1.3578 -2 -2 5 2 69.20 3.96 1.3577 2 -3 5 2 69.33 1.61 1.3554 -3 4 2 2 70.03 3.77 1.3435 -4 1 4 2 70.22 1.33 1.3404 -1 1 6 2 70.81 2.69 1.3306 4 -3 3 2 71.04 1.51 1.3270 0 3 4 2 71.26 1.73 1.3233 1 4 0 2 71.27 1.06 1.3232 -3 3 4 2 71.87 1.10 1.3136 -3 -1 5 2 72.05 1.02 1.3108 -1 -2 6 2 72.43 1.79 1.3048 -4 2 4 2 72.44 1.81 1.3046 -4 -1 3 2 72.96 1.13 1.2966 3 -1 5 2 73.89 4.47 1.2827 2 1 5 2 76.21 2.06 1.2493 -4 4 2 2 77.21 2.76 1.2356 -2 3 5 2 77.64 1.58 1.2298 -3 5 0 2 77.70 2.13 1.2290 -3 -3 1 2 77.84 1.11 1.2271 -1 2 6 2 78.17 1.37 1.2228 2 0 6 2 78.25 2.38 1.2217 -1 -4 4 2 79.05 1.60 1.2113 2 -5 3 2 79.46 1.57 1.2061 -4 0 5 2 79.57 1.55 1.2047 1 -5 3 2 79.86 1.19 1.2011 -3 -2 5 2 80.55 3.29 1.1925 4 2 0 2 80.58 2.18 1.1921 2 3 3 2 81.08 1.40 1.1860 1 -1 7 2 81.41 1.15 1.1821 -2 -4 2 2 82.00 1.24 1.1751 4 0 4 2 82.73 1.07 1.1665 -4 -2 3 2 82.90 2.16 1.1646 4 1 3 2 83.33 1.03 1.1596 -5 4 1 2 83.53 1.01 1.1574 -4 5 0 2 84.12 1.12 1.1508 -5 1 4 2 84.20 1.21 1.1499 4 -4 4 2 84.27 1.11 1.1491 5 -3 3 2 87.78 1.90 1.1120 0 -4 6 2 87.94 1.10 1.1104 3 2 4 2 88.09 1.16 1.1088 -4 1 6 2 88.97 1.31 1.1001 4 -5 3 2 89.58 1.06 1.0942 -3 0 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.