CuFe2F8(H2O)2 Leblanc M, Ferey G Acta Crystallographica C46 (1990) 13-15 Room-temperature structure of diaquaoctafluorocopper(II)diiron(III) _database_code_amcsd 0010087 CELL PARAMETERS: 7.5410 7.5010 13.0270 90.000 90.520 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 736.842 Density (g/cm3): 3.274 MAX. ABS. INTENSITY / VOLUME**2: 18.20526606 RIR: 1.811 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.60 36.00 6.5132 0 0 2 2 17.98 36.58 4.9346 -1 1 1 4 18.06 36.93 4.9125 1 1 1 4 23.60 100.00 3.7703 2 0 0 2 23.72 4.96 3.7505 0 2 0 2 24.70 28.17 3.6041 0 2 1 4 26.42 16.20 3.3740 -1 1 3 4 26.59 15.92 3.3529 1 1 3 4 27.22 5.00 3.2760 -2 0 2 2 27.39 73.04 3.2566 0 0 4 2 27.44 4.20 3.2503 2 0 2 2 27.44 91.14 3.2502 0 2 2 4 33.71 8.14 2.6590 2 2 0 4 34.38 4.01 2.6085 -2 2 1 4 34.47 4.89 2.6020 2 2 1 4 36.29 5.08 2.4757 -2 0 4 2 36.41 5.24 2.4673 -2 2 2 4 36.54 3.50 2.4590 0 2 4 4 36.58 7.51 2.4563 2 2 2 4 36.63 2.74 2.4536 2 0 4 2 37.91 1.19 2.3733 1 3 0 4 38.34 16.31 2.3480 -3 1 1 4 38.38 1.02 2.3456 -1 1 5 4 38.46 1.67 2.3408 3 1 1 4 38.54 6.15 2.3360 -1 3 1 4 38.58 1.46 2.3337 1 1 5 4 40.49 3.93 2.2278 1 3 2 4 41.60 7.81 2.1711 0 0 6 2 42.24 2.73 2.1397 0 2 5 4 43.14 1.21 2.0969 -3 1 3 4 43.40 1.96 2.0850 -1 3 3 4 43.47 9.28 2.0817 3 1 3 4 43.51 8.09 2.0800 1 3 3 4 43.82 1.11 2.0661 -2 2 4 4 48.18 4.10 1.8889 -2 0 6 2 48.28 26.56 1.8852 4 0 0 2 48.45 26.82 1.8790 0 2 6 4 48.55 7.81 1.8752 0 4 0 2 48.58 2.28 1.8741 2 0 6 2 49.08 15.27 1.8561 0 4 1 4 51.76 2.77 1.7661 -3 1 5 4 51.96 3.53 1.7600 -1 1 7 4 52.02 1.23 1.7580 -3 3 1 4 52.05 4.19 1.7570 -1 3 5 4 52.12 1.27 1.7550 3 3 1 4 52.18 3.29 1.7530 1 1 7 4 52.21 1.29 1.7520 1 3 5 4 53.21 3.64 1.7216 0 4 3 4 54.38 5.78 1.6870 -2 2 6 4 54.48 1.86 1.6844 4 2 0 4 54.66 4.66 1.6790 2 4 0 4 54.75 7.34 1.6765 2 2 6 4 54.91 2.67 1.6722 -4 2 1 4 55.03 3.18 1.6687 4 2 1 4 55.09 3.09 1.6670 0 2 7 4 55.12 7.69 1.6661 -2 4 1 4 55.18 7.60 1.6644 2 4 1 4 55.90 1.89 1.6449 -3 3 3 4 56.15 6.57 1.6380 -4 0 4 2 56.17 1.84 1.6375 3 3 3 4 56.30 9.80 1.6339 -4 2 2 4 56.52 12.53 1.6283 0 0 8 2 56.55 11.85 1.6275 4 2 2 4 56.64 4.55 1.6251 4 0 4 2 56.64 5.91 1.6251 0 4 4 4 58.89 1.71 1.5682 -2 4 3 4 59.07 1.29 1.5639 2 4 3 4 60.55 1.05 1.5292 -2 2 7 4 60.86 3.77 1.5220 0 4 5 4 60.95 1.54 1.5201 2 2 7 4 61.86 3.93 1.4998 -2 0 8 2 62.09 1.83 1.4948 -2 4 4 4 62.32 2.88 1.4899 2 0 8 2 62.32 1.54 1.4899 2 4 4 4 63.23 1.54 1.4706 -5 1 1 4 63.26 1.44 1.4700 -3 3 5 4 63.63 1.50 1.4624 1 3 7 4 63.68 1.47 1.4612 3 3 5 4 63.71 2.35 1.4607 3 1 7 4 65.25 1.52 1.4299 -4 0 6 2 66.08 2.56 1.4139 -2 4 5 4 66.36 1.72 1.4087 2 4 5 4 70.48 6.26 1.3361 -4 2 6 4 70.88 3.17 1.3295 4 4 0 4 71.12 7.50 1.3256 4 2 6 4 71.25 2.79 1.3235 -4 4 1 4 71.36 2.77 1.3218 4 4 1 4 71.41 3.96 1.3209 0 4 7 4 75.67 1.76 1.2568 6 0 0 2 76.22 2.78 1.2491 -2 4 7 4 76.58 2.05 1.2441 2 4 7 4 76.61 1.27 1.2438 4 2 7 4 77.04 3.74 1.2378 -4 0 8 2 77.35 1.71 1.2336 -4 4 4 4 77.58 2.12 1.2305 0 2 10 4 77.66 2.05 1.2295 0 4 8 4 77.76 1.43 1.2281 4 4 4 4 77.87 2.76 1.2268 4 0 8 2 80.98 1.39 1.1873 -4 4 5 4 81.41 1.19 1.1820 -2 6 1 4 81.46 1.30 1.1814 2 6 1 4 82.09 1.15 1.1740 -6 2 2 4 82.40 1.51 1.1704 6 2 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.