Chalcanthite Bacon G E, Titterton D H Zeitschrift fur Kristallographie 141 (1975) 330-341 Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O) _database_code_amcsd 0010780 CELL PARAMETERS: 6.1410 10.7360 5.9860 82.270 107.430 102.670 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 366.361 Density (g/cm3): 2.263 MAX. ABS. INTENSITY / VOLUME**2: 7.635577669 RIR: 1.099 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.46 5.60 10.4459 0 1 0 2 15.40 28.36 5.7530 1 0 0 2 15.56 15.81 5.6955 0 0 1 2 16.12 58.20 5.4985 -1 1 0 2 16.98 10.60 5.2230 0 2 0 2 17.17 16.50 5.1635 0 1 1 2 18.28 4.95 4.8521 0 -1 1 2 18.61 7.58 4.7677 -1 0 1 2 18.69 100.00 4.7474 -1 1 1 2 18.97 21.26 4.6788 1 1 0 2 20.69 10.26 4.2927 -1 2 0 2 22.12 15.10 4.0179 -1 -1 1 2 22.23 62.38 3.9995 0 2 1 2 22.33 1.99 3.9817 -1 2 1 2 23.95 71.55 3.7151 0 -2 1 2 24.88 3.61 3.5785 1 0 1 2 25.11 17.39 3.5471 1 2 0 2 25.58 3.84 3.4820 0 3 0 2 25.73 12.34 3.4620 1 -1 1 2 26.91 47.00 3.3136 1 1 1 2 27.31 19.02 3.2654 -1 3 0 2 27.96 10.74 3.1907 -1 -2 1 2 29.05 9.87 3.0736 0 3 1 2 29.23 17.12 3.0555 1 -2 1 2 29.86 1.05 2.9926 -2 1 1 2 30.62 1.47 2.9196 -1 1 2 2 30.63 5.55 2.9183 -2 1 0 2 30.90 1.42 2.8937 -1 0 2 2 31.08 1.18 2.8776 0 -3 1 2 31.09 16.24 2.8765 2 0 0 2 31.41 2.19 2.8478 0 0 2 2 31.51 38.04 2.8391 -2 2 1 2 31.96 10.98 2.8005 0 1 2 2 32.48 43.08 2.7566 1 3 0 2 32.73 8.26 2.7365 -1 2 2 2 33.21 3.81 2.6974 0 -1 2 2 33.51 25.01 2.6739 -1 -1 2 2 33.85 1.27 2.6479 2 1 0 2 34.64 4.07 2.5896 1 -3 1 2 34.75 1.22 2.5818 0 2 2 2 34.94 5.73 2.5680 -1 4 0 2 35.08 1.89 2.5579 -1 -3 1 2 35.39 4.15 2.5361 -1 4 1 2 36.56 3.86 2.4580 -2 3 0 2 36.79 8.26 2.4432 0 4 1 2 36.85 2.33 2.4391 -1 3 2 2 37.06 22.76 2.4260 0 -2 2 2 37.30 8.41 2.4110 1 3 1 2 37.90 5.70 2.3737 -2 2 2 2 38.03 3.52 2.3661 -1 -2 2 2 38.48 3.97 2.3394 2 2 0 2 38.99 3.16 2.3100 0 -4 1 2 39.01 1.21 2.3087 1 0 2 2 39.37 1.31 2.2889 0 3 2 2 39.85 2.97 2.2619 1 -1 2 2 40.57 2.68 2.2239 2 -2 1 2 40.74 3.51 2.2148 -2 4 1 2 40.93 6.47 2.2047 -2 3 2 2 42.10 11.78 2.1464 -2 4 0 2 42.98 1.03 2.1046 -1 -4 1 2 43.31 1.97 2.0892 0 5 0 2 43.31 6.07 2.0889 -1 5 1 2 43.96 2.47 2.0597 -1 -3 2 2 44.32 1.58 2.0439 -3 1 1 2 44.49 3.13 2.0364 2 3 0 2 44.64 17.21 2.0299 2 2 1 2 45.13 1.37 2.0089 -2 -2 2 2 45.35 4.01 1.9998 0 4 2 2 45.53 1.05 1.9924 -1 1 3 2 45.56 7.77 1.9909 -2 4 2 2 46.50 3.80 1.9530 -3 1 0 2 46.82 1.19 1.9402 -1 2 3 2 46.87 5.12 1.9385 1 -3 2 2 47.22 4.22 1.9248 -3 3 1 2 47.30 2.79 1.9218 -3 2 0 2 47.45 1.92 1.9161 0 -5 1 2 47.61 8.81 1.9101 1 3 2 2 47.92 9.57 1.8985 0 0 3 2 47.99 3.66 1.8958 -3 1 2 2 48.10 3.56 1.8917 -1 -1 3 2 48.35 1.82 1.8826 -3 -1 1 2 48.89 1.59 1.8630 1 -5 1 2 49.04 6.14 1.8575 0 -4 2 2 49.13 1.12 1.8543 1 5 0 2 49.23 2.39 1.8508 2 -4 1 2 49.25 1.66 1.8500 -1 5 2 2 49.42 1.18 1.8441 0 -1 3 2 49.60 12.75 1.8380 -2 0 3 2 49.75 4.23 1.8328 -3 3 0 2 49.75 2.34 1.8327 -1 3 3 2 49.95 2.49 1.8257 3 1 0 2 50.29 7.52 1.8143 -3 3 2 2 51.04 6.32 1.7893 2 0 2 2 51.07 1.39 1.7884 -3 4 1 2 51.18 2.25 1.7849 2 -1 2 2 51.45 9.00 1.7760 -1 -5 1 2 51.53 3.17 1.7736 2 4 0 2 51.77 1.40 1.7659 -1 -2 3 2 52.11 2.48 1.7553 -2 -4 1 2 52.23 1.38 1.7515 -3 -1 2 2 52.25 4.59 1.7506 1 5 1 2 52.49 1.18 1.7434 0 -2 3 2 52.57 1.11 1.7410 0 6 0 2 52.89 1.33 1.7310 2 -2 2 2 53.99 1.93 1.6985 3 -1 1 2 54.85 3.47 1.6737 -2 6 1 2 55.30 2.73 1.6611 -2 4 3 2 55.46 1.15 1.6568 2 2 2 2 55.67 3.14 1.6511 1 1 3 2 56.17 4.87 1.6376 2 4 1 2 56.24 8.10 1.6357 -3 5 1 2 56.35 1.39 1.6327 -2 6 0 2 56.39 1.95 1.6316 0 -6 1 2 56.64 3.39 1.6249 -3 1 3 2 56.71 4.15 1.6233 3 1 1 2 56.77 6.03 1.6217 -1 -3 3 2 57.79 5.92 1.5954 -2 -4 2 2 58.22 1.09 1.5846 -3 -3 1 2 58.31 2.00 1.5825 -3 3 3 2 58.40 4.42 1.5803 -2 6 2 2 58.75 2.03 1.5715 -1 -5 2 2 59.16 2.91 1.5616 1 -5 2 2 59.25 1.59 1.5596 3 3 0 2 59.70 1.47 1.5489 -1 5 3 2 60.22 1.50 1.5368 1 5 2 2 60.22 2.09 1.5368 0 6 2 2 60.52 3.50 1.5298 -4 2 1 2 61.13 2.77 1.5159 -1 7 0 2 61.29 1.50 1.5125 -3 4 3 2 61.34 1.01 1.5113 1 3 3 2 61.88 1.77 1.4995 1 -3 3 2 61.98 2.45 1.4973 -4 0 1 2 62.02 1.25 1.4963 -4 2 2 2 62.14 2.91 1.4937 -1 1 4 2 62.21 1.02 1.4923 0 7 0 2 62.66 2.40 1.4825 2 -6 1 2 63.75 3.15 1.4598 -2 2 4 2 63.84 1.48 1.4581 -4 0 2 2 64.62 1.36 1.4424 -1 -1 4 2 64.69 1.20 1.4409 -2 7 0 2 64.83 2.94 1.4382 4 0 0 2 65.29 1.91 1.4292 -1 7 2 2 65.53 1.86 1.4246 3 -1 2 2 66.11 2.81 1.4134 2 0 3 2 66.81 4.06 1.4003 0 2 4 2 67.80 1.31 1.3822 1 7 0 2 68.02 1.16 1.3783 2 6 0 2 68.23 3.08 1.3746 -4 4 0 2 68.87 2.80 1.3633 -2 -6 1 2 70.20 1.41 1.3408 -4 0 3 2 70.29 1.89 1.3393 -3 -3 3 2 70.43 1.56 1.3370 -2 -2 4 2 71.00 1.45 1.3276 -4 -2 2 2 71.35 1.40 1.3219 -4 4 3 2 71.45 2.67 1.3203 4 -2 1 2 72.15 1.72 1.3092 -2 8 1 2 72.52 1.45 1.3034 -3 7 0 2 72.75 1.10 1.2999 -3 4 4 2 73.13 1.69 1.2940 1 1 4 2 73.23 1.11 1.2925 -3 -1 4 2 73.99 1.25 1.2811 -1 7 3 2 74.88 1.06 1.2681 3 3 2 2 76.54 1.73 1.2447 -3 5 4 2 77.43 1.27 1.2325 -4 -2 3 2 77.91 1.45 1.2262 3 5 1 2 78.27 1.75 1.2215 -4 2 4 2 79.51 1.67 1.2055 2 6 2 2 80.83 1.23 1.1891 -1 9 1 2 82.60 1.16 1.1680 -5 1 0 2 83.22 1.06 1.1609 -1 3 5 2 83.83 1.15 1.1540 3 -3 3 2 84.03 1.19 1.1518 -5 -1 2 2 84.46 1.13 1.1470 -5 5 1 2 84.47 1.14 1.1469 -1 9 2 2 85.18 1.05 1.1391 0 0 5 2 85.94 1.47 1.1310 2 -2 4 2 86.23 1.23 1.1279 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.