Cl5 D2 Fe O Rb2 Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D Journal of Physics: Condensed Matter 7 (1995) 4725-4738 Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) _cod_database_code 1006103 _database_code_amcsd 0013276 CELL PARAMETERS: 13.8015 9.9049 7.0783 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 967.621 Density (g/cm3): 2.897 MAX. ABS. INTENSITY / VOLUME**2: 14.36842820 RIR: 1.615 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.83 4.14 6.9008 2 0 0 2 14.06 6.23 6.2983 1 0 1 4 15.39 49.53 5.7589 0 1 1 4 15.65 52.24 5.6621 2 1 0 4 16.68 3.42 5.3148 1 1 1 8 17.91 7.49 4.9524 0 2 0 2 17.95 1.96 4.9411 2 0 1 4 20.08 1.05 4.4215 2 1 1 8 22.84 9.30 3.8931 1 2 1 8 23.06 3.02 3.8574 3 0 1 4 25.16 5.52 3.5391 0 0 2 2 25.46 76.09 3.4979 2 2 1 8 25.82 27.60 3.4504 4 0 0 2 25.99 34.39 3.4282 1 0 2 4 28.78 24.97 3.1015 4 0 1 4 29.35 45.50 3.0432 3 2 1 8 29.77 4.50 3.0011 2 1 2 8 29.86 6.00 2.9921 0 3 1 4 30.00 6.03 2.9783 2 3 0 4 30.20 4.16 2.9598 4 1 1 8 31.06 29.65 2.8795 0 2 2 4 31.60 99.22 2.8310 4 2 0 4 31.74 100.00 2.8188 1 2 2 8 31.90 57.08 2.8051 3 0 2 4 33.19 1.71 2.6990 3 1 2 8 34.11 11.25 2.6286 4 2 1 8 36.08 1.78 2.4891 5 1 1 8 36.28 78.95 2.4762 0 4 0 2 36.36 39.43 2.4706 4 0 2 4 36.82 1.61 2.4408 3 2 2 8 37.52 1.26 2.3971 4 1 2 8 39.09 1.48 2.3045 1 4 1 8 40.40 4.32 2.2325 2 0 3 4 41.49 31.58 2.1766 5 0 2 4 42.52 7.71 2.1259 5 1 2 8 42.96 9.08 2.1051 1 2 3 8 43.09 5.69 2.0994 3 0 3 4 43.37 3.37 2.0862 6 2 0 4 44.09 4.99 2.0538 3 1 3 8 44.66 2.48 2.0289 0 4 2 4 45.06 11.51 2.0118 4 4 0 4 45.17 13.49 2.0073 1 4 2 8 45.32 13.67 2.0011 6 2 1 8 45.52 7.16 1.9926 5 2 2 8 46.95 10.35 1.9351 4 4 1 8 47.01 16.30 1.9329 3 2 3 8 47.58 2.81 1.9110 4 1 3 8 47.67 3.02 1.9077 0 5 1 4 47.77 3.56 1.9041 2 5 0 4 47.89 6.38 1.8993 7 0 1 4 48.06 3.23 1.8931 6 1 2 8 49.07 27.01 1.8564 3 4 2 8 50.20 3.02 1.8172 5 3 2 8 50.80 1.49 1.7972 6 2 2 8 50.91 2.04 1.7935 5 0 3 4 51.53 2.48 1.7734 7 2 1 8 51.59 1.79 1.7716 3 3 3 8 51.65 2.76 1.7696 0 0 4 2 52.11 13.75 1.7552 1 0 4 4 52.31 22.01 1.7490 4 4 2 8 52.98 3.87 1.7283 1 1 4 8 53.08 9.30 1.7252 8 0 0 2 53.46 1.83 1.7141 2 0 4 4 53.95 1.14 1.6996 8 1 0 4 54.72 1.59 1.6775 4 3 3 8 54.74 1.02 1.6768 2 5 2 8 54.77 7.27 1.6761 8 0 1 4 55.00 1.12 1.6695 4 5 1 8 55.11 4.37 1.6664 0 2 4 4 55.15 1.66 1.6654 6 3 2 8 55.41 2.97 1.6581 2 4 3 8 55.61 2.78 1.6526 8 1 1 8 55.65 2.87 1.6516 3 0 4 4 56.27 22.15 1.6348 5 4 2 8 57.56 4.45 1.6013 3 4 3 8 58.10 8.47 1.5877 8 2 1 8 58.63 2.30 1.5746 4 0 4 4 58.95 3.74 1.5668 3 2 4 8 58.99 6.38 1.5657 2 6 1 8 59.66 1.75 1.5498 1 3 4 8 61.06 4.52 1.5177 3 6 1 8 61.27 2.88 1.5129 7 0 3 4 61.53 5.27 1.5071 7 4 1 8 61.83 5.51 1.5006 4 2 4 8 62.03 2.39 1.4961 0 6 2 4 62.10 1.56 1.4946 8 3 1 8 62.33 1.65 1.4897 5 0 4 4 62.35 8.99 1.4892 4 6 0 4 62.44 9.76 1.4874 1 6 2 8 62.79 1.30 1.4799 8 2 2 8 63.50 2.45 1.4650 5 5 2 8 63.88 1.26 1.4573 4 6 1 8 64.11 1.61 1.4525 5 4 3 8 64.39 11.43 1.4469 7 2 3 8 64.70 1.78 1.4408 3 5 3 8 64.75 2.50 1.4397 0 4 4 4 65.14 12.16 1.4320 1 4 4 8 65.42 4.63 1.4266 5 2 4 8 66.00 8.33 1.4155 8 4 0 4 66.32 1.59 1.4094 2 4 4 8 66.44 1.28 1.4071 9 0 2 4 67.48 6.74 1.3880 8 4 1 8 67.82 1.25 1.3819 6 5 2 8 68.26 2.70 1.3740 3 4 4 8 68.66 1.02 1.3669 10 1 0 4 69.44 4.68 1.3535 9 2 2 8 69.68 2.69 1.3495 6 2 4 8 69.87 1.93 1.3462 1 6 3 8 70.52 3.69 1.3354 2 2 5 8 70.88 1.88 1.3295 10 2 0 4 70.93 2.21 1.3287 4 4 4 8 71.61 2.84 1.3177 6 6 1 8 71.66 1.63 1.3169 7 0 4 4 71.76 1.36 1.3153 5 6 2 8 71.86 1.64 1.3137 1 5 4 8 72.31 1.17 1.3066 10 2 1 8 72.89 3.29 1.2977 3 6 3 8 73.33 2.93 1.2910 7 4 3 8 73.68 1.84 1.2858 9 0 3 4 74.10 1.16 1.2796 8 5 1 8 74.30 1.68 1.2765 5 4 4 8 75.01 2.06 1.2662 4 2 5 8 77.02 5.50 1.2381 0 8 0 2 78.12 1.41 1.2234 9 4 2 8 79.16 1.12 1.2100 2 4 5 8 79.38 1.11 1.2071 0 6 4 4 80.05 2.40 1.1987 11 2 1 8 81.61 1.13 1.1797 0 0 6 2 81.91 2.44 1.1761 8 6 1 8 82.64 1.09 1.1676 3 6 4 8 82.83 1.31 1.1654 4 8 0 4 82.91 1.51 1.1645 1 8 2 8 83.06 1.93 1.1627 7 4 4 8 84.10 1.72 1.1510 9 1 4 8 84.20 1.28 1.1499 4 8 1 8 84.41 2.76 1.1476 0 2 6 4 85.00 2.30 1.1411 9 4 3 8 85.16 1.87 1.1394 4 6 4 8 85.54 2.92 1.1352 12 0 1 4 85.78 3.74 1.1327 3 8 2 8 87.36 3.38 1.1163 4 0 6 4 87.45 4.13 1.1154 7 6 3 8 88.20 1.80 1.1078 11 0 3 4 88.29 3.49 1.1069 4 8 2 8 88.32 2.08 1.1065 12 2 1 8 88.38 1.75 1.1060 5 6 4 8 89.57 2.07 1.0944 8 0 5 4 89.66 1.14 1.0935 9 3 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.