Chalcanthite Beevers C, Lipson H Proceedings of the Royal Society of London A146 (1934) 570-582 The crystal structure of copper sulfate pentahydrate CuSO4(H2O)5 _cod_database_code 1010527 _database_code_amcsd 0017438 CELL PARAMETERS: 6.1200 10.7000 5.9700 82.270 107.430 102.670 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 362.911 Density (g/cm3): 2.192 MAX. ABS. INTENSITY / VOLUME**2: 8.878253748 RIR: 1.319 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.49 4.31 10.4109 0 1 0 2 15.46 31.84 5.7333 1 0 0 2 15.60 18.21 5.6803 0 0 1 2 16.17 42.56 5.4798 -1 1 0 2 17.03 11.18 5.2054 0 2 0 2 17.22 18.81 5.1490 0 1 1 2 18.34 6.53 4.8383 0 -1 1 2 18.67 4.20 4.7532 -1 0 1 2 18.75 100.00 4.7329 -1 1 1 2 19.03 26.77 4.6628 1 1 0 2 20.76 10.32 4.2782 -1 2 0 2 22.19 10.12 4.0054 -1 -1 1 2 22.30 47.72 3.9873 0 2 1 2 22.40 1.18 3.9692 -1 2 1 2 24.03 56.53 3.7038 0 -2 1 2 24.96 3.17 3.5676 1 0 1 2 25.19 16.78 3.5351 1 2 0 2 25.67 2.24 3.4703 0 3 0 2 25.81 10.63 3.4514 1 -1 1 2 26.99 35.30 3.3034 1 1 1 2 27.41 16.10 3.2544 -1 3 0 2 28.06 11.92 3.1805 -1 -2 1 2 29.15 7.38 3.0638 0 3 1 2 29.32 10.40 3.0460 1 -2 1 2 29.96 2.01 2.9826 -2 1 1 2 30.71 2.32 2.9115 -1 1 2 2 30.74 6.43 2.9084 -2 1 0 2 30.99 2.41 2.8857 -1 0 2 2 31.18 1.24 2.8685 0 -3 1 2 31.20 15.93 2.8667 2 0 0 2 31.62 28.95 2.8296 -2 2 1 2 32.05 8.92 2.7929 0 1 2 2 32.59 33.91 2.7473 1 3 0 2 32.82 8.12 2.7287 -1 2 2 2 33.61 23.07 2.6664 -1 -1 2 2 33.97 1.54 2.6389 2 1 0 2 34.75 4.01 2.5814 1 -3 1 2 34.85 1.43 2.5745 0 2 2 2 35.06 6.46 2.5594 -1 4 0 2 35.20 3.07 2.5496 -1 -3 1 2 35.51 3.22 2.5278 -1 4 1 2 36.69 2.43 2.4496 -2 3 0 2 36.91 6.02 2.4353 0 4 1 2 36.96 1.47 2.4319 -1 3 2 2 37.17 22.68 2.4191 0 -2 2 2 37.42 7.17 2.4033 1 3 1 2 38.02 7.40 2.3665 -2 2 2 2 38.62 3.71 2.3314 2 2 0 2 39.12 3.25 2.3026 0 -4 1 2 39.97 3.12 2.2554 1 -1 2 2 40.70 1.91 2.2167 2 -2 1 2 40.88 2.86 2.2074 -2 4 1 2 41.07 5.82 2.1979 -2 3 2 2 42.25 9.21 2.1391 -2 4 0 2 43.12 1.04 2.0977 -1 -4 1 2 43.46 2.34 2.0822 0 5 0 2 43.46 6.53 2.0820 -1 5 1 2 44.10 2.32 2.0534 -1 -3 2 2 44.48 1.33 2.0369 -3 1 1 2 44.65 3.06 2.0294 2 3 0 2 44.79 16.08 2.0233 2 2 1 2 45.50 4.01 1.9937 0 4 2 2 45.72 5.97 1.9846 -2 4 2 2 46.67 2.29 1.9463 -3 1 0 2 47.02 3.92 1.9328 1 -3 2 2 47.39 2.98 1.9183 -3 3 1 2 47.47 2.16 1.9152 -3 2 0 2 47.76 6.41 1.9043 1 3 2 2 48.05 9.53 1.8934 0 0 3 2 48.15 4.02 1.8897 -3 1 2 2 48.24 3.91 1.8866 -1 -1 3 2 48.52 1.12 1.8762 -3 -1 1 2 49.20 5.48 1.8519 0 -4 2 2 49.40 2.23 1.8448 2 -4 1 2 49.42 1.03 1.8442 -1 5 2 2 49.57 1.07 1.8391 0 -1 3 2 49.75 11.84 1.8328 -2 0 3 2 49.90 3.03 1.8276 -1 3 3 2 49.93 5.22 1.8266 -3 3 0 2 50.14 3.21 1.8195 3 1 0 2 50.47 6.00 1.8084 -3 3 2 2 51.11 1.15 1.7870 -2 -3 2 2 51.21 5.35 1.7838 2 0 2 2 51.26 1.04 1.7823 -3 4 1 2 51.35 2.30 1.7795 2 -1 2 2 51.64 6.90 1.7701 -1 -5 1 2 51.72 3.82 1.7676 2 4 0 2 51.93 1.66 1.7609 -1 -2 3 2 52.29 1.23 1.7494 -2 -4 1 2 52.41 1.38 1.7458 -3 -1 2 2 52.44 3.84 1.7449 1 5 1 2 52.64 1.19 1.7386 0 -2 3 2 53.07 2.29 1.7257 2 -2 2 2 54.18 2.28 1.6929 3 -1 1 2 55.05 3.38 1.6681 -2 6 1 2 55.48 2.66 1.6562 -2 4 3 2 55.84 3.05 1.6465 1 1 3 2 56.37 4.12 1.6322 2 4 1 2 56.45 8.65 1.6302 -3 5 1 2 56.56 1.60 1.6272 -2 6 0 2 56.60 2.17 1.6262 0 -6 1 2 56.83 3.13 1.6200 -3 1 3 2 56.91 3.15 1.6179 3 1 1 2 56.95 4.88 1.6170 -1 -3 3 2 57.99 1.39 1.5903 1 2 3 2 58.00 4.89 1.5903 -2 -4 2 2 58.09 1.00 1.5880 0 4 3 2 58.44 1.24 1.5792 -3 -3 1 2 58.50 3.69 1.5776 -3 3 3 2 58.61 3.94 1.5752 -2 6 2 2 58.96 2.74 1.5666 -1 -5 2 2 59.37 2.54 1.5568 1 -5 2 2 59.47 1.42 1.5543 3 3 0 2 59.90 1.46 1.5443 -1 5 3 2 60.43 1.24 1.5320 1 5 2 2 60.43 1.89 1.5319 0 6 2 2 60.75 2.76 1.5245 -4 2 1 2 61.33 1.08 1.5115 3 -4 1 2 61.36 2.53 1.5108 -1 7 0 2 61.50 1.23 1.5079 -3 4 3 2 61.54 1.38 1.5069 1 3 3 2 62.08 1.38 1.4952 1 -3 3 2 62.22 2.32 1.4922 -4 0 1 2 62.25 1.20 1.4913 -4 2 2 2 62.33 2.22 1.4898 -1 1 4 2 62.44 1.08 1.4873 0 7 0 2 62.89 2.30 1.4777 2 -6 1 2 63.57 1.15 1.4635 -2 1 4 2 63.95 1.82 1.4558 -2 2 4 2 64.08 1.38 1.4533 -4 0 2 2 64.94 1.09 1.4360 -2 7 0 2 65.07 2.89 1.4333 4 0 0 2 65.52 1.74 1.4246 -1 7 2 2 65.76 1.72 1.4201 3 -1 2 2 66.33 3.29 1.4092 2 0 3 2 67.02 4.32 1.3965 0 2 4 2 68.06 1.21 1.3776 1 7 0 2 68.49 2.39 1.3699 -4 4 0 2 69.14 2.88 1.3587 -2 -6 1 2 69.31 1.37 1.3558 -3 1 4 2 70.45 1.33 1.3365 -4 0 3 2 70.54 1.38 1.3351 -3 -3 3 2 70.66 1.56 1.3332 -2 -2 4 2 71.27 1.80 1.3232 -4 -2 2 2 71.61 1.26 1.3177 -4 4 3 2 71.73 2.03 1.3159 4 -2 1 2 72.43 1.67 1.3049 -2 8 1 2 72.81 1.11 1.2990 -3 7 0 2 73.37 1.81 1.2905 1 1 4 2 73.80 1.15 1.2839 -1 5 4 2 75.41 1.08 1.2606 -2 -5 3 2 75.48 1.00 1.2595 2 -4 3 2 76.81 2.20 1.2410 -3 5 4 2 77.64 1.25 1.2298 3 -5 2 2 78.22 1.53 1.2221 3 5 1 2 78.55 1.40 1.2178 -4 2 4 2 79.82 1.34 1.2016 2 6 2 2 81.16 1.18 1.1851 -1 9 1 2 83.66 1.20 1.1559 -5 3 0 2 84.15 1.11 1.1505 3 -3 3 2 84.38 1.27 1.1479 -5 -1 2 2 84.82 1.22 1.1431 -5 5 1 2 84.82 1.27 1.1431 -1 9 2 2 86.25 1.02 1.1277 2 -2 4 2 86.59 1.02 1.1242 1 -9 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.