Chalcanthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050293 Bacon G E, Titterton D H Zeitschrift fur Kristallographie 141 (1975) 330-341 Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O) CELL PARAMETERS: 6.141000 10.73600 5.986000 82.27000 107.4300 102.6700 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 8.49 6.21 10.4259 0 1 0 15.46 28.69 5.7323 1 0 0 15.62 15.75 5.6740 0 0 1 16.17 57.11 5.4794 -1 1 0 17.01 10.34 5.2129 0 2 0 17.24 16.90 5.1435 0 1 1 18.33 4.78 4.8380 0 -1 1 18.70 7.25 4.7449 -1 0 1 18.78 100.00 4.7230 -1 1 1 19.02 21.16 4.6647 1 1 0 20.75 9.88 4.2803 -1 2 0 22.20 15.06 4.0031 -1 -1 1 22.30 62.32 3.9861 0 2 1 22.42 1.82 3.9639 -1 2 1 24.00 71.45 3.7066 0 -2 1 24.95 3.65 3.5675 1 0 1 25.16 16.70 3.5382 1 2 0 25.62 3.80 3.4753 0 3 0 25.80 12.51 3.4522 1 -1 1 26.98 46.19 3.3035 1 1 1 27.37 19.35 3.2572 -1 3 0 28.03 10.57 3.1816 -1 -2 1 29.13 9.99 3.0646 0 3 1 29.29 17.19 3.0479 1 -2 1 29.99 1.14 2.9785 -2 1 1 30.76 1.46 2.9053 -1 1 2 30.74 5.70 2.9077 -2 1 0 31.03 1.40 2.8805 -1 0 2 31.13 1.18 2.8719 0 -3 1 31.19 16.05 2.8662 2 0 0 31.52 2.18 2.8370 0 0 2 31.65 37.51 2.8260 -2 2 1 32.07 11.02 2.7894 0 1 2 32.54 43.54 2.7503 1 3 0 32.87 8.27 2.7234 -1 2 2 33.31 3.72 2.6883 0 -1 2 33.63 24.65 2.6634 -1 -1 2 33.95 1.27 2.6391 2 1 0 34.70 3.85 2.5839 1 -3 1 34.87 1.24 2.5717 0 2 2 35.00 5.42 2.5622 -1 4 0 35.15 1.77 2.5518 -1 -3 1 35.49 3.84 2.5281 -1 4 1 36.66 3.56 2.4501 -2 3 0 36.87 8.19 2.4368 0 4 1 37.00 2.17 2.4284 -1 3 2 37.15 22.36 2.4190 0 -2 2 37.38 8.14 2.4045 1 3 1 38.09 5.90 2.3615 -2 2 2 38.14 3.50 2.3582 -1 -2 2 38.58 3.79 2.3324 2 2 0 39.04 3.25 2.3057 0 -4 1 39.12 1.28 2.3012 1 0 2 39.49 1.21 2.2806 0 3 2 39.96 2.92 2.2551 1 -1 2 40.66 2.74 2.2175 2 -2 1 40.87 3.54 2.2066 -2 4 1 41.12 6.38 2.1940 -2 3 2 42.20 11.65 2.1402 -2 4 0 43.05 1.04 2.1000 -1 -4 1 43.37 1.86 2.0852 0 5 0 43.42 6.14 2.0830 -1 5 1 44.07 2.48 2.0538 -1 -3 2 44.50 1.59 2.0350 -3 1 1 44.59 3.09 2.0308 2 3 0 44.75 16.88 2.0239 2 2 1 45.28 1.34 2.0016 -2 -2 2 45.48 4.03 1.9930 0 4 2 45.72 1.02 1.9832 -1 1 3 45.75 7.53 1.9820 -2 4 2 46.65 3.64 1.9458 -3 1 0 47.03 1.12 1.9312 -1 2 3 46.96 5.06 1.9337 1 -3 2 47.40 4.12 1.9167 -3 3 1 47.45 2.74 1.9148 -3 2 0 47.51 1.90 1.9126 0 -5 1 47.74 8.54 1.9040 1 3 2 48.08 9.39 1.8913 0 0 3 48.21 3.65 1.8865 -3 1 2 48.27 3.46 1.8842 -1 -1 3 48.52 1.82 1.8753 -3 -1 1 48.96 1.61 1.8594 1 -5 1 49.13 5.91 1.8533 0 -4 2 49.21 1.07 1.8504 1 5 0 49.33 2.36 1.8462 2 -4 1 49.41 1.64 1.8434 -1 5 2 49.58 1.16 1.8376 0 -1 3 49.82 12.49 1.8293 -2 0 3 49.90 4.29 1.8265 -3 3 0 49.96 2.39 1.8245 -1 3 3 50.10 2.41 1.8195 3 1 0 50.52 7.24 1.8055 -3 3 2 51.18 6.12 1.7838 2 0 2 51.26 1.22 1.7813 -3 4 1 51.31 2.17 1.7796 2 -1 2 51.53 8.80 1.7724 -1 -5 1 51.63 2.94 1.7691 2 4 0 51.93 1.31 1.7596 -1 -2 3 52.22 2.47 1.7507 -2 -4 1 52.43 1.37 1.7440 -3 -1 2 52.36 4.57 1.7464 1 5 1 52.63 1.17 1.7378 0 -2 3 52.64 1.20 1.7376 0 6 0 53.02 1.26 1.7261 2 -2 2 54.14 1.95 1.6930 3 -1 1 55.00 3.27 1.6686 -2 6 1 55.55 2.63 1.6532 -2 4 3 55.61 1.08 1.6517 2 2 2 55.84 3.02 1.6454 1 1 3 56.29 4.73 1.6332 2 4 1 56.43 7.93 1.6297 -3 5 1 56.47 1.45 1.6286 -2 6 0 56.47 1.79 1.6286 0 -6 1 56.92 3.29 1.6167 -3 1 3 56.86 4.03 1.6182 3 1 1 56.93 5.84 1.6165 -1 -3 3 57.93 5.67 1.5908 -2 -4 2 58.39 1.04 1.5795 -3 -3 1 58.60 2.03 1.5743 -3 3 3 58.59 4.20 1.5744 -2 6 2 58.86 1.99 1.5679 -1 -5 2 59.26 2.77 1.5583 1 -5 2 59.40 1.57 1.5549 3 3 0 59.92 1.36 1.5427 -1 5 3 60.36 1.42 1.5324 1 5 2 60.37 2.03 1.5323 0 6 2 60.76 3.26 1.5233 -4 2 1 61.23 2.65 1.5128 -1 7 0 61.58 1.41 1.5050 -3 4 3 61.53 1.01 1.5061 1 3 3 62.02 1.72 1.4954 1 -3 3 62.21 2.35 1.4913 -4 0 1 62.31 1.20 1.4892 -4 2 2 62.40 2.77 1.4872 -1 1 4 62.30 1.02 1.4894 0 7 0 62.77 2.24 1.4792 2 -6 1 64.06 2.99 1.4526 -2 2 4 64.11 1.41 1.4516 -4 0 2 64.86 1.32 1.4367 -1 -1 4 64.82 1.13 1.4374 -2 7 0 65.04 2.86 1.4331 4 0 0 65.46 1.86 1.4248 -1 7 2 65.70 1.77 1.4203 3 -1 2 66.30 2.68 1.4089 2 0 3 67.06 3.93 1.3947 0 2 4 67.90 1.21 1.3795 1 7 0 68.14 1.17 1.3751 2 6 0 68.44 2.86 1.3698 -4 4 0 69.00 2.65 1.3602 -2 -6 1 70.52 1.35 1.3345 -4 0 3 70.53 1.82 1.3344 -3 -3 3 70.69 1.48 1.3317 -2 -2 4 71.26 1.42 1.3225 -4 -2 2 71.70 1.35 1.3153 -4 4 3 71.66 2.54 1.3160 4 -2 1 72.31 1.70 1.3057 -2 8 1 72.69 1.39 1.2998 -3 7 0 73.37 1.58 1.2895 1 1 4 73.56 1.04 1.2867 -3 -1 4 74.23 1.16 1.2766 -1 7 3 75.08 1.02 1.2644 3 3 2 76.92 1.67 1.2386 -3 5 4 77.75 1.18 1.2275 -4 -2 3 78.10 1.36 1.2228 3 5 1 78.68 1.63 1.2152 -4 2 4 79.70 1.59 1.2023 2 6 2 80.99 1.10 1.1864 -1 9 1 82.90 1.05 1.1637 -5 1 0 84.05 1.09 1.1507 3 -3 3 84.38 1.12 1.1471 -5 -1 2 84.79 1.05 1.1425 -5 5 1 84.68 1.10 1.1437 -1 9 2 86.19 1.36 1.1276 2 -2 4 86.36 1.15 1.1258 1 -9 1 86.36 1.15 1.1258 1 -9 1 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.