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 = .1 MPa Sample: T = 15 K _database_code_amcsd 0010299 CELL PARAMETERS: 13.4520 9.6310 7.0030 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 907.282 Density (g/cm3): 2.411 MAX. ABS. INTENSITY / VOLUME**2: 7.587289896 RIR: 1.025 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.65 91.93 5.6640 0 1 1 4 16.07 86.69 5.5144 2 1 0 4 16.99 5.68 5.2201 1 1 1 8 18.29 33.11 4.8510 2 0 1 4 18.42 6.98 4.8155 0 2 0 2 20.50 1.81 4.3324 2 1 1 8 23.37 2.11 3.8058 1 2 1 8 25.33 1.42 3.5157 3 1 1 8 25.44 3.09 3.5015 0 0 2 2 26.07 21.10 3.4175 2 2 1 8 26.30 14.70 3.3886 1 0 2 4 26.50 13.10 3.3630 4 0 0 2 27.91 1.07 3.1965 1 1 2 8 29.46 33.46 3.0316 4 0 1 4 30.07 46.78 2.9715 3 2 1 8 30.24 9.97 2.9559 2 1 2 8 30.63 12.57 2.9183 0 3 1 4 30.86 16.00 2.8972 2 3 0 4 30.92 8.82 2.8917 4 1 1 8 31.59 33.50 2.8320 0 2 2 4 32.30 99.66 2.7712 1 2 2 8 32.44 77.81 2.7598 3 0 2 4 32.47 98.76 2.7572 4 2 0 4 33.79 1.49 2.6530 3 1 2 8 34.36 2.56 2.6101 2 2 2 8 34.97 5.56 2.5655 4 2 1 8 35.75 1.76 2.5114 5 0 1 4 36.99 4.22 2.4302 5 1 1 8 37.06 57.88 2.4255 4 0 2 4 37.35 100.00 2.4077 0 4 0 2 38.27 2.31 2.3520 4 1 2 8 39.17 5.19 2.3000 1 0 3 4 40.32 1.35 2.2371 1 1 3 8 40.41 3.47 2.2322 2 3 2 8 40.92 12.36 2.2053 2 0 3 4 40.95 2.40 2.2041 4 3 1 8 41.70 7.52 2.1662 4 2 2 8 41.89 6.28 2.1567 2 4 1 8 42.33 5.83 2.1352 6 0 1 4 42.37 28.42 2.1334 5 0 2 4 43.41 2.00 2.0846 6 1 1 8 43.45 10.67 2.0829 5 1 2 8 43.61 4.53 2.0754 1 2 3 8 44.58 1.04 2.0325 6 2 0 4 44.77 9.52 2.0243 3 1 3 8 45.73 1.54 1.9840 0 4 2 4 45.88 1.48 1.9781 5 3 1 8 46.26 5.34 1.9627 1 4 2 8 46.38 5.60 1.9577 4 4 0 4 46.53 7.86 1.9520 6 2 1 8 47.82 5.37 1.9022 3 2 3 8 48.20 3.49 1.8881 6 0 2 4 48.27 13.37 1.8854 4 4 1 8 48.40 5.62 1.8807 4 1 3 8 49.05 5.13 1.8572 0 5 1 4 49.16 6.81 1.8532 7 0 1 4 49.17 5.52 1.8528 6 1 2 8 49.20 4.32 1.8518 2 5 0 4 50.29 36.12 1.8143 3 4 2 8 51.39 1.02 1.7779 6 3 1 8 51.43 5.29 1.7768 5 3 2 8 51.86 5.12 1.7632 5 0 3 4 52.25 1.34 1.7507 0 0 4 2 52.60 4.31 1.7400 3 3 3 8 52.66 1.18 1.7380 5 4 1 8 52.73 15.33 1.7361 1 0 4 4 53.64 31.93 1.7088 4 4 2 8 53.64 5.83 1.7086 1 1 4 8 54.13 5.13 1.6943 2 0 4 4 54.58 10.84 1.6815 8 0 0 2 55.23 3.74 1.6631 1 4 3 8 55.47 1.82 1.6564 8 1 0 4 55.84 3.43 1.6463 4 3 3 8 55.88 2.56 1.6454 0 2 4 4 56.19 1.62 1.6369 2 5 2 8 56.26 6.41 1.6350 8 0 1 4 56.42 3.56 1.6308 3 0 4 4 56.55 3.31 1.6275 6 3 2 8 56.59 8.21 1.6263 2 4 3 8 56.61 2.04 1.6258 4 5 1 8 57.14 5.52 1.6120 8 1 1 8 57.68 3.43 1.5983 2 2 4 8 57.71 4.24 1.5975 6 4 1 8 57.74 19.41 1.5968 5 4 2 8 58.00 1.01 1.5902 7 2 2 8 58.11 1.43 1.5875 8 2 0 4 59.73 7.37 1.5482 8 2 1 8 59.88 3.41 1.5447 3 2 4 8 60.39 1.24 1.5329 6 2 3 8 60.64 3.32 1.5271 1 3 4 8 60.78 1.67 1.5239 2 6 1 8 62.51 2.67 1.4858 6 4 2 8 62.88 3.37 1.4780 4 2 4 8 62.91 4.40 1.4772 3 6 1 8 63.33 5.64 1.4686 7 4 1 8 63.66 1.83 1.4617 9 0 1 4 63.79 2.56 1.4592 0 6 2 4 63.89 3.29 1.4570 8 3 1 8 64.20 9.21 1.4506 1 6 2 8 64.31 8.61 1.4486 4 6 0 4 64.44 1.18 1.4458 8 2 2 8 64.48 1.35 1.4452 9 1 1 8 65.26 2.93 1.4297 5 5 2 8 65.63 4.30 1.4225 5 4 3 8 65.87 6.56 1.4179 7 2 3 8 65.97 1.21 1.4160 0 4 4 4 66.27 2.89 1.4103 3 5 3 8 66.38 13.65 1.4082 1 4 4 8 66.63 2.03 1.4037 5 2 4 8 67.20 1.94 1.3931 1 0 5 4 67.61 4.51 1.3856 2 4 4 8 67.99 1.05 1.3787 1 1 5 8 68.00 9.92 1.3786 8 4 0 4 69.12 1.70 1.3590 4 5 3 8 69.21 1.52 1.3575 2 1 5 8 69.49 6.05 1.3526 8 4 1 8 69.63 3.45 1.3503 3 4 4 8 69.74 1.93 1.3484 6 5 2 8 69.77 1.09 1.3479 2 7 0 4 70.33 1.14 1.3386 4 6 2 8 70.71 1.32 1.3323 10 1 0 4 70.83 1.01 1.3303 9 3 1 8 71.07 5.09 1.3265 6 2 4 8 71.35 2.35 1.3219 9 2 2 8 71.55 1.55 1.3188 2 2 5 8 71.93 1.59 1.3127 8 2 3 8 73.12 3.47 1.2942 7 0 4 4 73.42 2.12 1.2896 1 5 4 8 73.86 1.54 1.2831 6 6 1 8 75.38 1.17 1.2610 2 3 5 8 75.53 4.12 1.2587 9 0 3 4 76.19 1.97 1.2495 9 4 1 8 76.25 1.55 1.2487 4 2 5 8 76.41 2.29 1.2465 8 5 1 8 76.71 3.62 1.2423 5 0 5 4 76.83 1.01 1.2407 10 3 0 4 79.49 2.17 1.2058 1 4 5 8 79.64 7.43 1.2039 0 8 0 2 82.55 2.86 1.1687 11 2 1 8 82.84 1.02 1.1653 2 6 4 8 84.60 2.38 1.1454 8 6 1 8 84.73 1.17 1.1440 3 6 4 8 85.11 4.38 1.1400 7 4 4 8 85.63 1.53 1.1343 0 2 6 4 86.14 2.77 1.1289 9 1 4 8 86.59 2.14 1.1241 7 1 5 8 87.10 1.87 1.1189 4 8 1 8 87.14 1.57 1.1185 2 2 6 8 87.38 1.24 1.1161 4 6 4 8 87.43 5.49 1.1155 9 4 3 8 88.29 3.72 1.1069 12 0 1 4 88.58 4.97 1.1040 5 4 5 8 88.64 5.76 1.1035 3 8 2 8 88.72 2.47 1.1026 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.