Chalcanthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060102 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 8.51 6.21 10.4267 0 1 0 15.48 28.69 5.7328 1 0 0 15.65 15.75 5.6735 0 0 1 16.20 57.11 5.4796 -1 1 0 17.03 10.34 5.2134 0 2 0 17.26 16.90 5.1437 0 1 1 18.36 4.78 4.8375 0 -1 1 18.72 7.25 4.7459 -1 0 1 18.81 100.00 4.7242 -1 1 1 19.05 21.16 4.6652 1 1 0 20.77 9.88 4.2805 -1 2 0 22.22 15.06 4.0037 -1 -1 1 22.32 62.32 3.9865 0 2 1 22.44 1.82 3.9649 -1 2 1 24.03 71.45 3.7064 0 -2 1 24.98 3.65 3.5671 1 0 1 25.19 16.70 3.5386 1 2 0 25.65 3.80 3.4756 0 3 0 25.83 12.51 3.4517 1 -1 1 27.01 46.19 3.3033 1 1 1 27.40 19.35 3.2574 -1 3 0 28.06 10.57 3.1819 -1 -2 1 29.15 9.99 3.0650 0 3 1 29.32 17.19 3.0475 1 -2 1 30.01 1.14 2.9792 -2 1 1 30.78 1.46 2.9057 -1 1 2 30.76 5.70 2.9079 -2 1 0 31.06 1.40 2.8807 -1 0 2 31.16 1.18 2.8718 0 -3 1 31.22 16.05 2.8664 2 0 0 31.55 2.18 2.8368 0 0 2 31.67 37.51 2.8267 -2 2 1 32.10 11.02 2.7893 0 1 2 32.57 43.54 2.7506 1 3 0 32.89 8.27 2.7239 -1 2 2 33.34 3.72 2.6880 0 -1 2 33.66 24.65 2.6635 -1 -1 2 33.98 1.27 2.6394 2 1 0 34.73 3.85 2.5836 1 -3 1 34.90 1.24 2.5718 0 2 2 35.03 5.42 2.5623 -1 4 0 35.18 1.77 2.5520 -1 -3 1 35.51 3.84 2.5285 -1 4 1 36.69 3.56 2.4502 -2 3 0 36.89 8.19 2.4371 0 4 1 37.02 2.17 2.4288 -1 3 2 37.18 22.36 2.4187 0 -2 2 37.40 8.14 2.4047 1 3 1 38.10 5.90 2.3621 -2 2 2 38.17 3.50 2.3583 -1 -2 2 38.60 3.79 2.3326 2 2 0 39.07 3.25 2.3056 0 -4 1 39.16 1.28 2.3009 1 0 2 39.52 1.21 2.2807 0 3 2 39.99 2.92 2.2547 1 -1 2 40.70 2.74 2.2172 2 -2 1 40.89 3.54 2.2070 -2 4 1 41.14 6.38 2.1946 -2 3 2 42.23 11.65 2.1402 -2 4 0 43.07 1.04 2.1001 -1 -4 1 43.39 1.86 2.0853 0 5 0 43.44 6.14 2.0833 -1 5 1 44.09 2.48 2.0539 -1 -3 2 44.51 1.59 2.0354 -3 1 1 44.62 3.09 2.0310 2 3 0 44.78 16.88 2.0240 2 2 1 45.30 1.34 2.0018 -2 -2 2 45.51 4.03 1.9933 0 4 2 45.75 1.02 1.9834 -1 1 3 45.77 7.53 1.9825 -2 4 2 46.68 3.64 1.9460 -3 1 0 47.05 1.12 1.9314 -1 2 3 47.00 5.06 1.9334 1 -3 2 47.42 4.12 1.9170 -3 3 1 47.48 2.74 1.9149 -3 2 0 47.54 1.90 1.9126 0 -5 1 47.76 8.54 1.9041 1 3 2 48.11 9.39 1.8912 0 0 3 48.22 3.65 1.8870 -3 1 2 48.30 3.46 1.8842 -1 -1 3 48.53 1.82 1.8756 -3 -1 1 48.99 1.61 1.8593 1 -5 1 49.16 5.91 1.8532 0 -4 2 49.23 1.07 1.8506 1 5 0 49.36 2.36 1.8460 2 -4 1 49.43 1.64 1.8437 -1 5 2 49.61 1.16 1.8374 0 -1 3 49.84 12.49 1.8296 -2 0 3 49.93 4.29 1.8265 -3 3 0 49.98 2.39 1.8247 -1 3 3 50.13 2.41 1.8197 3 1 0 50.53 7.24 1.8059 -3 3 2 51.21 6.12 1.7835 2 0 2 51.27 1.22 1.7816 -3 4 1 51.34 2.17 1.7793 2 -1 2 51.56 8.80 1.7725 -1 -5 1 51.66 2.94 1.7693 2 4 0 51.96 1.31 1.7596 -1 -2 3 52.24 2.47 1.7509 -2 -4 1 52.45 1.37 1.7444 -3 -1 2 52.38 4.57 1.7466 1 5 1 52.67 1.17 1.7376 0 -2 3 52.66 1.20 1.7378 0 6 0 53.06 1.26 1.7258 2 -2 2 54.17 1.95 1.6930 3 -1 1 55.02 3.27 1.6689 -2 6 1 55.57 2.63 1.6536 -2 4 3 55.64 1.08 1.6517 2 2 2 55.87 3.02 1.6453 1 1 3 56.32 4.73 1.6333 2 4 1 56.44 7.93 1.6299 -3 5 1 56.49 1.45 1.6287 -2 6 0 56.49 1.79 1.6286 0 -6 1 56.93 3.29 1.6171 -3 1 3 56.89 4.03 1.6182 3 1 1 56.96 5.84 1.6165 -1 -3 3 57.95 5.67 1.5910 -2 -4 2 58.41 1.04 1.5798 -3 -3 1 58.61 2.03 1.5747 -3 3 3 58.61 4.20 1.5747 -2 6 2 58.89 1.99 1.5680 -1 -5 2 59.30 2.77 1.5581 1 -5 2 59.42 1.57 1.5551 3 3 0 59.94 1.36 1.5429 -1 5 3 60.39 1.42 1.5325 1 5 2 60.39 2.03 1.5325 0 6 2 60.78 3.26 1.5236 -4 2 1 61.25 2.65 1.5129 -1 7 0 61.59 1.41 1.5054 -3 4 3 61.56 1.01 1.5061 1 3 3 62.06 1.72 1.4951 1 -3 3 62.23 2.35 1.4915 -4 0 1 62.32 1.20 1.4896 -4 2 2 62.43 2.77 1.4872 -1 1 4 62.32 1.02 1.4895 0 7 0 62.81 2.24 1.4792 2 -6 1 64.08 2.99 1.4528 -2 2 4 64.12 1.41 1.4520 -4 0 2 64.88 1.32 1.4367 -1 -1 4 64.84 1.13 1.4375 -2 7 0 65.06 2.86 1.4332 4 0 0 65.48 1.86 1.4251 -1 7 2 65.74 1.77 1.4201 3 -1 2 66.33 2.68 1.4087 2 0 3 67.09 3.93 1.3947 0 2 4 67.92 1.21 1.3796 1 7 0 68.16 1.17 1.3753 2 6 0 68.47 2.86 1.3699 -4 4 0 69.02 2.65 1.3603 -2 -6 1 70.53 1.35 1.3348 -4 0 3 70.54 1.82 1.3346 -3 -3 3 70.71 1.48 1.3318 -2 -2 4 71.27 1.42 1.3227 -4 -2 2 71.71 1.35 1.3157 -4 4 3 71.69 2.54 1.3160 4 -2 1 72.33 1.70 1.3059 -2 8 1 72.72 1.39 1.2999 -3 7 0 73.41 1.58 1.2894 1 1 4 73.57 1.04 1.2869 -3 -1 4 74.25 1.16 1.2768 -1 7 3 75.11 1.02 1.2643 3 3 2 76.93 1.67 1.2389 -3 5 4 77.76 1.18 1.2277 -4 -2 3 78.12 1.36 1.2229 3 5 1 78.69 1.63 1.2155 -4 2 4 79.72 1.59 1.2023 2 6 2 81.00 1.10 1.1865 -1 9 1 82.92 1.05 1.1638 -5 1 0 84.09 1.09 1.1506 3 -3 3 84.39 1.12 1.1473 -5 -1 2 84.81 1.05 1.1427 -5 5 1 84.70 1.10 1.1439 -1 9 2 86.24 1.36 1.1274 2 -2 4 86.38 1.15 1.1258 1 -9 1 86.38 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.