Chalcanthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050354 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: 6.116149 10.71292 5.959319 82.37605 107.3016 102.5936 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 8.52 6.21 10.4274 0 1 0 15.49 28.69 5.7345 1 0 0 15.65 15.75 5.6746 0 0 1 16.21 57.11 5.4804 -1 1 0 17.04 10.34 5.2137 0 2 0 17.27 16.90 5.1440 0 1 1 18.37 4.78 4.8386 0 -1 1 18.73 7.25 4.7455 -1 0 1 18.82 100.00 4.7229 -1 1 1 19.05 21.16 4.6667 1 1 0 20.78 9.88 4.2806 -1 2 0 22.23 15.06 4.0040 -1 -1 1 22.33 62.32 3.9866 0 2 1 22.46 1.82 3.9637 -1 2 1 24.03 71.45 3.7072 0 -2 1 24.98 3.65 3.5686 1 0 1 25.19 16.70 3.5395 1 2 0 25.66 3.80 3.4758 0 3 0 25.83 12.51 3.4530 1 -1 1 27.01 46.19 3.3046 1 1 1 27.41 19.35 3.2574 -1 3 0 28.06 10.57 3.1824 -1 -2 1 29.16 9.99 3.0650 0 3 1 29.32 17.19 3.0484 1 -2 1 30.02 1.14 2.9789 -2 1 1 30.80 1.46 2.9052 -1 1 2 30.76 5.70 2.9085 -2 1 0 31.07 1.40 2.8806 -1 0 2 31.16 1.18 2.8723 0 -3 1 31.22 16.05 2.8672 2 0 0 31.55 2.18 2.8373 0 0 2 31.68 37.51 2.8262 -2 2 1 32.11 11.02 2.7897 0 1 2 32.57 43.54 2.7512 1 3 0 32.91 8.27 2.7233 -1 2 2 33.35 3.72 2.6886 0 -1 2 33.67 24.65 2.6637 -1 -1 2 33.97 1.27 2.6402 2 1 0 34.73 3.85 2.5842 1 -3 1 34.90 1.24 2.5720 0 2 2 35.04 5.42 2.5623 -1 4 0 35.18 1.77 2.5524 -1 -3 1 35.53 3.84 2.5281 -1 4 1 36.69 3.56 2.4504 -2 3 0 36.90 8.19 2.4371 0 4 1 37.04 2.17 2.4283 -1 3 2 37.18 22.36 2.4193 0 -2 2 37.40 8.14 2.4053 1 3 1 38.12 5.90 2.3615 -2 2 2 38.17 3.50 2.3586 -1 -2 2 38.60 3.79 2.3333 2 2 0 39.08 3.25 2.3060 0 -4 1 39.15 1.28 2.3018 1 0 2 39.53 1.21 2.2808 0 3 2 39.99 2.92 2.2556 1 -1 2 40.69 2.74 2.2180 2 -2 1 40.91 3.54 2.2065 -2 4 1 41.16 6.38 2.1939 -2 3 2 42.24 11.65 2.1403 -2 4 0 43.08 1.04 2.1005 -1 -4 1 43.40 1.86 2.0855 0 5 0 43.45 6.14 2.0830 -1 5 1 44.10 2.48 2.0542 -1 -3 2 44.52 1.59 2.0355 -3 1 1 44.61 3.09 2.0316 2 3 0 44.77 16.88 2.0248 2 2 1 45.31 1.34 2.0020 -2 -2 2 45.52 4.03 1.9933 0 4 2 45.76 1.02 1.9833 -1 1 3 45.79 7.53 1.9819 -2 4 2 46.67 3.64 1.9464 -3 1 0 47.06 1.12 1.9312 -1 2 3 46.99 5.06 1.9340 1 -3 2 47.44 4.12 1.9169 -3 3 1 47.48 2.74 1.9153 -3 2 0 47.54 1.90 1.9129 0 -5 1 47.76 8.54 1.9045 1 3 2 48.11 9.39 1.8915 0 0 3 48.24 3.65 1.8868 -3 1 2 48.30 3.46 1.8844 -1 -1 3 48.54 1.82 1.8759 -3 -1 1 48.99 1.61 1.8596 1 -5 1 49.16 5.91 1.8536 0 -4 2 49.23 1.07 1.8509 1 5 0 49.36 2.36 1.8464 2 -4 1 49.45 1.64 1.8434 -1 5 2 49.61 1.16 1.8378 0 -1 3 49.85 12.49 1.8295 -2 0 3 49.93 4.29 1.8268 -3 3 0 50.00 2.39 1.8245 -1 3 3 50.12 2.41 1.8202 3 1 0 50.56 7.24 1.8055 -3 3 2 51.20 6.12 1.7843 2 0 2 51.29 1.22 1.7814 -3 4 1 51.33 2.17 1.7801 2 -1 2 51.56 8.80 1.7728 -1 -5 1 51.65 2.94 1.7697 2 4 0 51.96 1.31 1.7598 -1 -2 3 52.24 2.47 1.7513 -2 -4 1 52.46 1.37 1.7445 -3 -1 2 52.38 4.57 1.7469 1 5 1 52.66 1.17 1.7380 0 -2 3 52.67 1.20 1.7379 0 6 0 53.04 1.26 1.7265 2 -2 2 54.16 1.95 1.6936 3 -1 1 55.03 3.27 1.6686 -2 6 1 55.59 2.63 1.6531 -2 4 3 55.62 1.08 1.6523 2 2 2 55.86 3.02 1.6458 1 1 3 56.31 4.73 1.6338 2 4 1 56.46 7.93 1.6297 -3 5 1 56.50 1.45 1.6287 -2 6 0 56.49 1.79 1.6289 0 -6 1 56.95 3.29 1.6168 -3 1 3 56.88 4.03 1.6188 3 1 1 56.96 5.84 1.6167 -1 -3 3 57.95 5.67 1.5912 -2 -4 2 58.40 1.04 1.5801 -3 -3 1 58.64 2.03 1.5743 -3 3 3 58.63 4.20 1.5744 -2 6 2 58.88 1.99 1.5683 -1 -5 2 59.29 2.77 1.5585 1 -5 2 59.41 1.57 1.5556 3 3 0 59.96 1.36 1.5427 -1 5 3 60.38 1.42 1.5328 1 5 2 60.40 2.03 1.5325 0 6 2 60.78 3.26 1.5237 -4 2 1 61.26 2.65 1.5129 -1 7 0 61.62 1.41 1.5049 -3 4 3 61.55 1.01 1.5065 1 3 3 62.05 1.72 1.4956 1 -3 3 62.23 2.35 1.4917 -4 0 1 62.33 1.20 1.4895 -4 2 2 62.44 2.77 1.4872 -1 1 4 62.32 1.02 1.4896 0 7 0 62.80 2.24 1.4794 2 -6 1 64.10 2.99 1.4526 -2 2 4 64.13 1.41 1.4520 -4 0 2 64.89 1.32 1.4368 -1 -1 4 64.85 1.13 1.4375 -2 7 0 65.05 2.86 1.4336 4 0 0 65.50 1.86 1.4249 -1 7 2 65.71 1.77 1.4207 3 -1 2 66.31 2.68 1.4093 2 0 3 67.09 3.93 1.3948 0 2 4 67.92 1.21 1.3798 1 7 0 68.16 1.17 1.3756 2 6 0 68.47 2.86 1.3701 -4 4 0 69.01 2.65 1.3606 -2 -6 1 70.55 1.35 1.3347 -4 0 3 70.55 1.82 1.3347 -3 -3 3 70.72 1.48 1.3318 -2 -2 4 71.27 1.42 1.3229 -4 -2 2 71.74 1.35 1.3153 -4 4 3 71.67 2.54 1.3164 4 -2 1 72.35 1.70 1.3058 -2 8 1 72.73 1.39 1.2999 -3 7 0 73.40 1.58 1.2897 1 1 4 73.58 1.04 1.2869 -3 -1 4 74.27 1.16 1.2767 -1 7 3 75.08 1.02 1.2648 3 3 2 76.96 1.67 1.2385 -3 5 4 77.76 1.18 1.2278 -4 -2 3 78.10 1.36 1.2233 3 5 1 78.72 1.63 1.2153 -4 2 4 79.71 1.59 1.2026 2 6 2 81.02 1.10 1.1864 -1 9 1 82.90 1.05 1.1641 -5 1 0 84.06 1.09 1.1510 3 -3 3 84.39 1.12 1.1474 -5 -1 2 84.82 1.05 1.1427 -5 5 1 84.72 1.10 1.1438 -1 9 2 86.21 1.36 1.1278 2 -2 4 86.38 1.15 1.1259 1 -9 1 86.38 1.15 1.1259 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.