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 1006106 _database_code_amcsd 0013279 CELL PARAMETERS: 13.6801 9.8471 7.0073 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 943.949 Density (g/cm3): 2.969 MAX. ABS. INTENSITY / VOLUME**2: 14.84447045 RIR: 1.628 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.94 3.82 6.8401 2 0 0 2 14.20 6.18 6.2367 1 0 1 4 15.52 49.12 5.7093 0 1 1 4 15.78 49.20 5.6177 2 1 0 4 16.83 3.53 5.2688 1 1 1 8 18.02 7.54 4.9236 0 2 0 2 18.12 2.33 4.8947 2 0 1 4 23.01 7.77 3.8645 1 2 1 8 23.27 2.71 3.8220 3 0 1 4 25.42 6.70 3.5036 0 0 2 2 25.66 79.34 3.4712 2 2 1 8 26.05 26.28 3.4200 4 0 0 2 26.26 32.09 3.3941 1 0 2 4 29.05 25.76 3.0735 4 0 1 4 29.59 42.07 3.0191 3 2 1 8 30.06 4.39 2.9729 2 1 2 8 30.06 5.36 2.9724 0 3 1 4 30.20 6.66 2.9593 2 3 0 4 30.47 4.77 2.9339 4 1 1 8 31.34 35.40 2.8546 0 2 2 4 31.86 100.00 2.8089 4 2 0 4 32.03 94.27 2.7945 1 2 2 8 32.22 54.78 2.7783 3 0 2 4 33.51 1.13 2.6739 3 1 2 8 34.40 11.79 2.6072 4 2 1 8 36.41 1.26 2.4673 5 1 1 8 36.50 78.84 2.4618 0 4 0 2 36.72 44.81 2.4474 4 0 2 4 37.16 1.42 2.4196 3 2 2 8 37.88 1.04 2.3751 4 1 2 8 39.35 1.44 2.2898 1 4 1 8 39.88 1.11 2.2608 2 3 2 8 40.82 3.31 2.2104 2 0 3 4 41.89 29.49 2.1564 5 0 2 4 42.93 5.89 2.1065 5 1 2 8 43.39 10.18 2.0857 1 2 3 8 43.53 6.64 2.0789 3 0 3 4 43.75 3.64 2.0689 6 2 0 4 44.54 4.75 2.0341 3 1 3 8 45.01 2.97 2.0143 0 4 2 4 45.39 11.03 1.9980 4 4 0 4 45.52 12.62 1.9928 1 4 2 8 45.72 14.13 1.9843 6 2 1 8 45.94 6.36 1.9753 5 2 2 8 47.31 10.70 1.9214 4 4 1 8 47.47 15.44 1.9152 3 2 3 8 47.98 3.23 1.8960 0 5 1 4 48.07 2.71 1.8929 4 1 3 8 48.08 3.01 1.8925 2 5 0 4 48.35 6.06 1.8825 7 0 1 4 48.53 3.46 1.8760 6 1 2 8 49.47 25.97 1.8425 3 4 2 8 50.65 2.33 1.8023 5 3 2 8 51.28 1.62 1.7815 6 2 2 8 51.44 1.72 1.7765 5 0 3 4 52.01 2.15 1.7583 7 2 1 8 52.07 1.63 1.7563 3 3 3 8 52.22 1.61 1.7518 0 0 4 2 52.68 15.03 1.7376 1 0 4 4 52.74 25.15 1.7356 4 4 2 8 53.55 3.08 1.7112 1 1 4 8 53.59 9.41 1.7100 8 0 0 2 54.04 1.79 1.6971 2 0 4 4 55.24 1.54 1.6630 4 3 3 8 55.30 7.60 1.6613 8 0 1 4 55.41 1.37 1.6582 4 5 1 8 55.65 1.88 1.6515 6 3 2 8 55.69 4.01 1.6505 0 2 4 4 55.90 2.28 1.6447 2 4 3 8 56.15 2.45 1.6381 8 1 1 8 56.25 2.96 1.6353 3 0 4 4 56.75 20.73 1.6221 5 4 2 8 58.07 5.14 1.5883 3 4 3 8 58.65 8.43 1.5741 8 2 1 8 59.27 1.89 1.5592 4 0 4 4 59.40 6.56 1.5560 2 6 1 8 59.57 4.49 1.5519 3 2 4 8 60.26 1.45 1.5357 1 3 4 8 61.49 4.17 1.5080 3 6 1 8 61.91 2.92 1.4989 7 0 3 4 62.07 5.03 1.4954 7 4 1 8 62.48 3.72 1.4864 4 2 4 8 62.49 2.91 1.4862 0 6 2 4 62.68 1.30 1.4822 8 3 1 8 62.80 9.07 1.4796 4 6 0 4 62.90 9.22 1.4775 1 6 2 8 63.01 1.76 1.4753 5 0 4 4 63.41 1.80 1.4670 8 2 2 8 64.03 1.87 1.4542 5 5 2 8 64.35 1.32 1.4477 4 6 1 8 64.71 1.36 1.4406 5 4 3 8 65.05 11.94 1.4339 7 2 3 8 65.26 1.77 1.4297 3 5 3 8 65.38 1.47 1.4273 0 4 4 4 65.78 13.36 1.4196 1 4 4 8 66.12 5.76 1.4132 5 2 4 8 66.59 8.45 1.4044 8 4 0 4 66.97 1.57 1.3972 2 4 4 8 67.13 1.01 1.3944 9 0 2 4 68.09 7.07 1.3770 8 4 1 8 68.32 1.03 1.3729 2 0 5 4 68.40 1.25 1.3715 6 5 2 8 68.94 2.80 1.3622 3 4 4 8 69.35 1.02 1.3550 10 1 0 4 70.14 4.65 1.3417 9 2 2 8 70.43 2.48 1.3369 6 2 4 8 70.46 2.12 1.3364 1 6 3 8 71.31 3.32 1.3225 2 2 5 8 71.59 1.69 1.3181 10 2 0 4 71.64 1.83 1.3172 4 4 4 8 72.19 2.91 1.3086 6 6 1 8 72.36 1.21 1.3060 5 6 2 8 72.45 1.83 1.3045 7 0 4 4 72.55 1.28 1.3030 1 5 4 8 73.05 1.18 1.2954 10 2 1 8 73.52 3.11 1.2882 3 6 3 8 74.05 2.98 1.2802 7 4 3 8 74.47 1.81 1.2740 9 0 3 4 74.76 1.07 1.2698 8 5 1 8 75.06 1.79 1.2655 5 4 4 8 75.87 1.85 1.2540 4 2 5 8 77.56 5.49 1.2309 0 8 0 2 78.90 1.10 1.2133 9 4 2 8 80.02 1.17 1.1991 2 4 5 8 80.13 1.04 1.1977 0 6 4 4 80.90 2.38 1.1883 11 2 1 8 82.61 1.26 1.1679 0 0 6 2 82.65 2.45 1.1675 8 6 1 8 83.44 1.34 1.1584 3 6 4 8 83.46 1.26 1.1582 4 8 0 4 83.55 1.42 1.1571 1 8 2 8 83.95 2.20 1.1526 7 4 4 8 84.36 1.04 1.1481 9 0 4 4 84.86 1.33 1.1427 4 8 1 8 85.07 1.53 1.1404 9 1 4 8 85.44 2.71 1.1364 0 2 6 4 85.90 2.28 1.1315 9 4 3 8 86.00 1.28 1.1304 4 6 4 8 86.48 3.64 1.1254 3 8 2 8 86.49 3.07 1.1252 12 0 1 4 87.71 1.04 1.1127 5 4 5 8 88.30 4.37 1.1068 7 6 3 8 88.46 3.17 1.1052 4 0 6 4 89.02 4.04 1.0996 4 8 2 8 89.22 2.00 1.0977 11 0 3 4 89.28 2.20 1.0972 5 6 4 8 89.30 1.99 1.0969 12 2 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.