Bonattite Zahrobsky R F, Baur W H Acta Crystallographica B24 (1968) 508-513 On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic _database_code_amcsd 0009338 CELL PARAMETERS: 5.5920 13.0290 7.3410 90.000 97.050 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 530.808 Density (g/cm3): 2.673 MAX. ABS. INTENSITY / VOLUME**2: 12.26152379 RIR: 1.494 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.37 60.03 5.1058 1 1 0 2 18.27 32.44 4.8562 0 2 1 2 20.08 100.00 4.4225 -1 1 1 2 22.36 27.94 3.9756 1 1 1 2 24.44 59.29 3.6427 0 0 2 1 26.05 45.64 3.4202 1 3 0 2 27.38 57.41 3.2573 0 4 0 2 27.97 30.92 3.1902 -1 3 1 2 28.45 1.25 3.1376 -1 1 2 2 29.68 32.12 3.0097 1 3 1 2 30.05 16.28 2.9736 0 4 1 2 31.75 41.07 2.8187 1 1 2 2 34.59 2.04 2.5932 -1 3 2 2 35.15 4.12 2.5529 2 2 0 2 35.94 44.50 2.4990 -2 2 1 2 37.02 8.13 2.4281 0 4 2 2 37.40 7.85 2.4043 1 3 2 2 38.15 6.38 2.3587 1 5 0 2 38.29 8.44 2.3508 -2 0 2 1 38.67 4.86 2.3286 2 2 1 2 39.24 1.54 2.2959 -1 1 3 2 39.54 26.63 2.2792 -1 5 1 2 39.61 15.35 2.2755 0 2 3 2 40.81 6.05 2.2113 -2 2 2 2 40.82 5.26 2.2105 1 5 1 2 43.01 14.01 2.1029 1 1 3 2 43.35 2.30 2.0873 2 0 2 1 43.48 4.61 2.0814 -2 4 1 2 43.49 8.96 2.0810 0 6 1 2 44.07 3.64 2.0548 -1 3 3 2 46.65 9.02 1.9469 0 4 3 2 46.97 6.45 1.9344 1 5 2 2 47.71 7.63 1.9062 -2 4 2 2 48.75 6.49 1.8680 -2 2 3 2 49.78 2.43 1.8315 3 1 0 2 49.84 4.00 1.8296 -3 1 1 2 50.08 3.86 1.8214 0 0 4 1 51.32 2.58 1.7803 -1 1 4 2 51.81 10.04 1.7647 1 7 0 2 52.04 3.14 1.7574 2 4 2 2 52.67 5.67 1.7379 -1 5 3 2 52.91 1.65 1.7306 -1 7 1 2 53.01 2.64 1.7273 3 1 1 2 53.17 9.63 1.7225 -3 1 2 2 53.87 5.98 1.7019 3 3 0 2 53.92 2.11 1.7004 -3 3 1 2 53.94 1.64 1.7000 1 7 1 2 54.16 13.52 1.6936 -2 6 1 2 55.06 7.68 1.6680 2 2 3 2 55.32 2.00 1.6606 -1 3 4 2 55.44 11.45 1.6573 1 1 4 2 55.73 8.23 1.6495 1 5 3 2 56.17 8.33 1.6375 2 6 1 2 56.88 7.42 1.6187 0 6 3 2 56.93 4.33 1.6174 3 3 1 2 56.97 2.49 1.6164 -2 0 4 1 57.09 12.91 1.6134 -3 3 2 2 57.10 3.79 1.6130 -1 7 2 2 57.80 1.17 1.5951 -2 6 2 2 58.02 3.73 1.5897 0 4 4 2 59.05 2.10 1.5644 1 7 2 2 59.15 2.21 1.5619 3 1 2 2 59.25 3.71 1.5594 1 3 4 2 59.40 1.03 1.5560 -3 1 3 2 60.74 1.79 1.5248 2 4 3 2 61.52 1.18 1.5074 -3 5 1 2 61.63 1.94 1.5048 2 6 2 2 62.46 1.02 1.4868 0 8 2 2 62.82 3.28 1.4792 3 3 2 2 64.00 2.92 1.4548 -1 7 3 2 64.20 2.82 1.4508 -2 6 3 2 64.31 2.08 1.4486 3 5 1 2 64.34 4.64 1.4479 -2 4 4 2 64.45 1.45 1.4458 -3 5 2 2 64.49 1.89 1.4449 -1 1 5 2 64.56 1.85 1.4436 2 0 4 1 65.66 3.45 1.4220 0 2 5 2 66.47 2.47 1.4065 1 5 4 2 67.07 1.58 1.3955 0 6 4 2 67.51 2.09 1.3874 4 0 0 1 67.72 1.19 1.3837 3 1 3 2 67.72 3.80 1.3836 -1 9 1 2 68.00 1.69 1.3786 -1 3 5 2 68.04 1.45 1.3779 -3 1 4 2 68.84 1.05 1.3638 -4 2 1 2 69.47 2.03 1.3530 -4 0 2 1 69.59 4.27 1.3509 2 6 3 2 70.32 1.42 1.3387 -2 8 2 2 70.74 3.23 1.3319 -2 2 5 2 71.15 1.30 1.3252 3 3 3 2 71.46 1.08 1.3201 -3 3 4 2 71.48 1.58 1.3198 2 4 4 2 72.35 2.03 1.3061 4 2 1 2 73.21 1.56 1.2929 -1 7 4 2 73.80 1.56 1.2840 2 8 2 2 74.31 2.51 1.2765 4 4 0 2 74.60 3.00 1.2721 3 7 1 2 74.73 1.76 1.2702 -3 7 2 2 74.78 3.38 1.2696 -1 5 5 2 76.14 2.81 1.2502 -4 2 3 2 76.19 2.00 1.2495 -4 4 2 2 76.40 2.02 1.2467 4 0 2 1 76.64 1.15 1.2434 1 7 4 2 77.62 1.79 1.2300 -1 9 3 2 77.81 2.25 1.2275 3 5 3 2 78.84 1.14 1.2141 0 8 4 2 79.16 2.55 1.2099 0 6 5 2 79.82 1.48 1.2016 3 7 2 2 81.64 2.72 1.1794 2 10 0 2 82.07 1.21 1.1743 -3 3 5 2 82.10 1.35 1.1739 -2 10 1 2 82.21 1.21 1.1726 -1 3 6 2 82.76 1.75 1.1662 -2 0 6 1 82.92 3.18 1.1643 4 4 2 2 83.44 1.54 1.1584 1 11 0 2 83.77 1.49 1.1547 2 10 1 2 84.36 1.01 1.1481 0 10 3 2 84.44 1.91 1.1473 -2 8 4 2 84.58 1.64 1.1457 -1 7 5 2 85.14 1.53 1.1396 -2 10 2 2 86.19 1.10 1.1283 4 2 3 2 87.53 1.05 1.1145 3 7 3 2 87.62 1.05 1.1136 3 9 1 2 87.76 1.68 1.1122 -1 11 2 2 88.45 1.50 1.1053 2 10 2 2 89.11 1.32 1.0988 -4 6 3 2 89.20 2.49 1.0980 -2 4 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.