Magnesiocopiapite Majzlan J, Kiefer B The Canadian Mineralogist 44 (2006) 1227-1237 An X-ray and neutron-diffraction study of synthetic ferricopiapite, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Note: hypothetical structure from ab-initio calculations _database_code_amcsd 0006122 CELL PARAMETERS: 7.5515 18.6010 7.4460 95.490 102.710 98.710 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 999.446 Density (g/cm3): 2.024 MAX. ABS. INTENSITY / VOLUME**2: 10.75815642 RIR: 1.731 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 4.85 100.00 18.2212 0 1 0 2 9.71 52.40 9.1106 0 2 0 2 12.30 1.30 7.1983 0 0 1 2 12.31 1.70 7.1887 -1 1 0 2 12.60 12.88 7.0235 0 -1 1 2 13.93 4.57 6.3590 1 1 0 2 14.20 9.59 6.2382 -1 2 0 2 14.58 20.74 6.0737 0 3 0 2 14.63 1.00 6.0559 0 -2 1 2 15.14 6.11 5.8527 -1 0 1 2 15.74 38.94 5.6294 -1 1 1 2 16.07 14.95 5.5170 -1 -1 1 2 16.69 5.54 5.3129 0 2 1 2 17.30 1.13 5.1253 -1 3 0 2 18.30 17.75 4.8484 -1 -2 1 2 19.34 1.72 4.5901 1 0 1 2 20.35 12.44 4.3633 0 3 1 2 20.68 3.19 4.2952 1 3 0 2 20.87 2.70 4.2561 1 1 1 2 21.11 13.47 4.2085 -1 4 0 2 21.45 15.26 4.1434 -1 -3 1 2 21.65 2.04 4.1054 0 -4 1 2 21.84 4.91 4.0695 1 -3 1 2 23.36 5.20 3.8078 1 2 1 2 24.17 1.25 3.6824 -2 1 0 2 24.34 2.74 3.6567 -1 4 1 2 24.56 3.55 3.6247 2 0 0 2 24.56 22.89 3.6243 0 -1 2 2 24.66 5.77 3.6099 1 -4 1 2 24.74 4.61 3.5991 0 0 2 2 24.77 20.88 3.5943 -2 2 0 2 25.19 10.11 3.5359 -1 -4 1 2 25.33 1.16 3.5163 -1 5 0 2 25.74 1.67 3.4607 -2 -1 1 2 26.30 3.61 3.3887 -2 3 0 2 26.32 1.22 3.3860 -1 -2 2 2 26.56 5.60 3.3566 1 3 1 2 27.06 3.07 3.2957 0 -3 2 2 27.16 2.94 3.2829 -1 2 2 2 27.84 1.03 3.2041 0 2 2 2 28.06 2.77 3.1795 2 2 0 2 28.09 3.22 3.1764 1 -5 1 2 28.35 1.21 3.1482 -1 -3 2 2 28.40 12.80 3.1428 -1 5 1 2 28.90 11.27 3.0891 0 5 1 2 29.32 1.93 3.0466 -1 -5 1 2 29.50 1.97 3.0279 0 -4 2 2 29.52 1.78 3.0257 -1 3 2 2 29.73 9.47 3.0050 1 -1 2 2 29.81 2.11 2.9972 -1 6 0 2 29.90 4.79 2.9884 -2 4 1 2 30.13 4.11 2.9659 2 0 1 2 30.21 2.95 2.9583 -2 -3 1 2 30.89 1.55 2.8945 2 3 0 2 31.06 1.32 2.8797 -1 -4 2 2 31.15 1.24 2.8713 1 -3 2 2 31.52 2.25 2.8385 2 1 1 2 31.54 2.41 2.8366 1 1 2 2 31.57 3.29 2.8339 -2 5 0 2 31.96 4.09 2.8004 1 -6 1 2 32.46 1.98 2.7585 -2 -2 2 2 32.54 1.81 2.7514 0 -5 2 2 32.56 3.94 2.7503 2 -4 1 2 32.99 2.14 2.7155 1 -4 2 2 33.37 4.62 2.6852 -2 -4 1 2 33.53 1.22 2.6729 0 6 1 2 33.74 1.06 2.6565 0 4 2 2 34.31 3.12 2.6135 1 5 1 2 34.48 8.28 2.6013 -2 -3 2 2 34.97 2.18 2.5659 2 -5 1 2 35.94 1.81 2.4989 -3 1 1 2 35.95 1.41 2.4984 -1 5 2 2 36.14 1.50 2.4852 1 3 2 2 36.27 3.06 2.4765 2 3 1 2 36.53 1.71 2.4594 -1 0 3 2 36.64 2.78 2.4529 -3 1 0 2 37.27 1.51 2.4129 -1 1 3 2 37.31 2.46 2.4100 -3 3 1 2 37.32 1.95 2.4096 -1 7 1 2 37.39 1.21 2.4050 0 5 2 2 37.46 2.45 2.4007 0 -2 3 2 37.48 1.83 2.3994 0 0 3 2 37.53 1.65 2.3962 -3 3 0 2 38.42 1.16 2.3432 -1 -3 3 2 38.45 1.65 2.3412 0 -3 3 2 38.78 2.98 2.3222 1 7 0 2 38.97 1.58 2.3114 -3 4 0 2 38.98 1.19 2.3109 -3 -2 1 2 39.12 2.68 2.3028 2 -3 2 2 39.56 1.42 2.2782 -3 1 2 2 39.57 1.94 2.2777 0 8 0 2 39.78 1.72 2.2661 -1 6 2 2 40.18 1.89 2.2441 -2 -5 2 2 40.40 1.08 2.2325 -3 -1 2 2 41.39 1.64 2.1816 0 6 2 2 42.07 2.25 2.1479 -1 8 1 2 42.38 4.06 2.1326 -2 -3 3 2 42.41 1.30 2.1314 1 0 3 2 42.98 1.50 2.1042 -2 8 0 2 43.69 1.73 2.0717 -2 -6 2 2 43.93 2.25 2.0610 -3 6 1 2 44.76 1.31 2.0246 0 9 0 2 45.00 2.95 2.0147 0 4 3 2 46.42 1.15 1.9561 2 7 0 2 46.83 1.87 1.9399 3 -6 1 2 47.02 1.08 1.9327 -3 -1 3 2 47.09 1.05 1.9297 -3 7 1 2 47.31 1.15 1.9213 -3 2 3 2 48.03 1.08 1.8943 -3 -2 3 2 48.80 1.61 1.8660 1 9 0 2 48.95 2.54 1.8607 -1 -1 4 2 49.14 1.43 1.8541 2 -9 1 2 49.41 1.82 1.8445 3 -3 2 2 50.60 1.90 1.8040 -4 2 2 2 50.71 1.24 1.8002 -4 0 2 2 50.79 1.05 1.7976 1 7 2 2 51.70 2.07 1.7680 -2 -8 2 2 52.01 2.03 1.7581 -2 10 0 2 52.58 1.20 1.7406 -4 4 2 2 53.32 1.29 1.7180 3 -6 2 2 53.40 1.62 1.7158 2 2 3 2 54.19 1.92 1.6926 -2 9 2 2 54.75 1.16 1.6767 -4 -3 2 2 55.22 1.57 1.6634 1 8 2 2 55.67 1.21 1.6509 -1 -6 4 2 56.07 1.17 1.6402 2 -7 3 2 56.43 1.73 1.6306 4 1 1 2 56.86 1.12 1.6193 -2 11 0 2 57.88 1.42 1.5933 -1 5 4 2 58.41 1.32 1.5800 -1 -7 4 2 59.81 1.25 1.5462 4 -7 1 2 64.91 1.08 1.4365 3 6 2 2 68.52 1.13 1.3695 0 -13 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.