Erythrosiderite Schultz A J, Carlin R L Acta Crystallographica B51 (1995) 43-47 Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Locality: synthetic Sample: P = .14 GPa Sample: T = 15 K _database_code_amcsd 0010300 CELL PARAMETERS: 13.3910 9.6480 6.9420 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 896.881 Density (g/cm3): 2.439 MAX. ABS. INTENSITY / VOLUME**2: 7.834783194 RIR: 1.046 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.22 1.01 6.6955 2 0 0 2 15.73 88.63 5.6349 0 1 1 4 16.11 83.46 5.5007 2 1 0 4 17.07 5.56 5.1938 1 1 1 8 18.39 6.96 4.8240 0 2 0 2 18.41 31.80 4.8192 2 0 1 4 20.60 1.62 4.3113 2 1 1 8 23.42 1.78 3.7987 1 2 1 8 23.70 1.03 3.7545 3 0 1 4 25.46 1.41 3.4989 3 1 1 8 25.67 3.19 3.4710 0 0 2 2 26.14 22.00 3.4094 2 2 1 8 26.53 14.24 3.3600 1 0 2 4 26.63 12.95 3.3477 4 0 0 2 28.12 1.02 3.1731 1 1 2 8 29.63 30.84 3.0154 4 0 1 4 30.16 44.08 2.9629 3 2 1 8 30.45 10.09 2.9354 2 1 2 8 30.64 12.02 2.9181 0 3 1 4 30.84 15.62 2.8989 2 3 0 4 31.07 9.48 2.8781 4 1 1 8 31.76 34.54 2.8175 0 2 2 4 32.47 96.28 2.7571 1 2 2 8 32.56 99.10 2.7503 4 2 0 4 32.68 76.10 2.7401 3 0 2 4 34.01 1.69 2.6358 3 1 2 8 34.54 2.26 2.5969 2 2 2 8 35.10 5.62 2.5570 4 2 1 8 35.94 1.68 2.4987 5 0 1 4 37.17 3.80 2.4189 5 1 1 8 37.28 100.00 2.4120 0 4 0 2 37.32 59.09 2.4096 4 0 2 4 38.51 2.01 2.3378 4 1 2 8 39.52 4.80 2.2802 1 0 3 4 40.54 3.58 2.2250 2 3 2 8 40.66 1.49 2.2191 1 1 3 8 41.03 2.55 2.1997 4 3 1 8 41.28 11.07 2.1871 2 0 3 4 41.88 6.12 2.1569 2 4 1 8 41.91 7.39 2.1556 4 2 2 8 42.55 5.64 2.1247 6 0 1 4 42.64 28.15 2.1204 5 0 2 4 43.62 1.60 2.0750 6 1 1 8 43.71 9.94 2.0710 5 1 2 8 43.92 4.58 2.0615 1 2 3 8 45.12 8.63 2.0093 3 1 3 8 45.81 1.61 1.9807 0 4 2 4 46.00 1.31 1.9731 5 3 1 8 46.34 5.29 1.9594 1 4 2 8 46.40 5.62 1.9570 4 4 0 4 46.71 8.09 1.9445 6 2 1 8 48.14 5.42 1.8901 3 2 3 8 48.32 12.48 1.8836 4 4 1 8 48.49 2.92 1.8773 6 0 2 4 48.76 5.35 1.8675 4 1 3 8 49.00 5.15 1.8591 0 5 1 4 49.14 4.23 1.8541 2 5 0 4 49.42 6.39 1.8443 7 0 1 4 49.46 5.39 1.8427 6 1 2 8 50.40 35.90 1.8105 3 4 2 8 51.63 4.93 1.7702 5 3 2 8 52.24 4.70 1.7510 5 0 3 4 52.75 1.14 1.7355 0 0 4 2 52.75 1.14 1.7354 5 4 1 8 52.88 3.85 1.7313 3 3 3 8 53.16 1.00 1.7228 5 1 3 8 53.22 15.68 1.7211 1 0 4 4 53.77 33.15 1.7047 4 4 2 8 54.13 5.57 1.6944 1 1 4 8 54.63 4.79 1.6800 2 0 4 4 54.85 11.46 1.6739 8 0 0 2 55.45 3.52 1.6570 1 4 3 8 55.74 1.65 1.6492 8 1 0 4 56.15 3.28 1.6381 4 3 3 8 56.25 1.67 1.6354 2 5 2 8 56.34 2.53 1.6330 0 2 4 4 56.56 5.93 1.6272 8 0 1 4 56.63 2.23 1.6253 4 5 1 8 56.78 3.25 1.6213 6 3 2 8 56.83 7.50 1.6202 2 4 3 8 56.93 3.33 1.6175 3 0 4 4 57.43 5.35 1.6046 8 1 1 8 57.83 4.16 1.5944 6 4 1 8 57.91 19.52 1.5925 5 4 2 8 58.15 3.42 1.5865 2 2 4 8 58.30 1.31 1.5827 7 2 2 8 58.35 1.47 1.5814 8 2 0 4 60.00 7.41 1.5419 8 2 1 8 60.35 3.79 1.5336 3 2 4 8 60.72 1.77 1.5253 2 6 1 8 60.77 1.04 1.5241 6 2 3 8 61.07 3.21 1.5175 1 3 4 8 62.72 2.25 1.4814 6 4 2 8 62.87 4.24 1.4781 3 6 1 8 63.37 3.14 1.4677 4 2 4 8 63.50 5.34 1.4651 7 4 1 8 63.79 2.71 1.4590 0 6 2 4 64.00 1.75 1.4548 9 0 1 4 64.14 3.16 1.4520 8 3 1 8 64.21 9.09 1.4505 1 6 2 8 64.26 8.78 1.4495 4 6 0 4 64.78 1.37 1.4391 8 2 2 8 64.81 1.07 1.4386 9 1 1 8 65.39 2.79 1.4271 5 5 2 8 65.92 3.99 1.4170 5 4 3 8 66.29 6.71 1.4100 7 2 3 8 66.36 1.06 1.4087 0 4 4 4 66.48 2.73 1.4065 3 5 3 8 66.77 14.17 1.4010 1 4 4 8 67.13 2.33 1.3943 5 2 4 8 67.87 1.72 1.3810 1 0 5 4 68.00 4.28 1.3786 2 4 4 8 68.19 10.60 1.3752 8 4 0 4 68.66 1.05 1.3671 1 1 5 8 69.35 1.66 1.3551 4 5 3 8 69.65 1.09 1.3500 2 7 0 4 69.71 5.67 1.3490 8 4 1 8 69.87 1.33 1.3462 2 1 5 8 69.91 1.91 1.3455 6 5 2 8 70.04 3.26 1.3434 3 4 4 8 70.39 1.16 1.3375 4 6 2 8 71.07 1.38 1.3264 10 1 0 4 71.60 4.75 1.3179 6 2 4 8 71.74 2.39 1.3157 9 2 2 8 72.19 1.47 1.3085 2 2 5 8 72.38 1.40 1.3056 8 2 3 8 73.71 3.61 1.2854 7 0 4 4 73.77 2.06 1.2844 1 5 4 8 73.92 1.62 1.2822 6 6 1 8 76.00 1.03 1.2522 2 3 5 8 76.05 3.96 1.2515 9 0 3 4 76.46 1.90 1.2458 9 4 1 8 76.59 2.28 1.2440 8 5 1 8 76.92 1.48 1.2394 4 2 5 8 77.16 1.06 1.2362 10 3 0 4 77.43 3.43 1.2326 5 0 5 4 79.47 7.50 1.2060 0 8 0 2 80.07 1.95 1.1985 1 4 5 8 82.98 3.03 1.1637 11 2 1 8 83.16 1.04 1.1616 2 6 4 8 84.76 2.43 1.1438 8 6 1 8 85.07 1.33 1.1404 3 6 4 8 85.63 4.62 1.1343 7 4 4 8 86.50 1.69 1.1251 0 2 6 4 86.81 2.71 1.1219 9 1 4 8 87.02 1.77 1.1198 4 8 1 8 87.37 1.98 1.1161 7 1 5 8 87.73 1.19 1.1125 4 6 4 8 87.89 5.33 1.1109 9 4 3 8 88.02 1.69 1.1095 2 2 6 8 88.60 5.81 1.1038 3 8 2 8 88.81 3.67 1.1018 12 0 1 4 89.23 4.78 1.0976 5 4 5 8 89.66 2.63 1.0935 4 0 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.