Fe3(H2O)[PO4]2 Moore P B, Araki T American Mineralogist 60 (1975) 454-459 The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of Fe3(H2O)[PO4]2 _database_code_amcsd 0000462 CELL PARAMETERS: 9.4310 10.0660 8.0400 90.000 117.600 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 676.401 Density (g/cm3): 3.708 MAX. ABS. INTENSITY / VOLUME**2: 10.31865098 RIR: 0.906 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.42 1.45 7.1251 0 0 1 2 14.91 6.35 5.9420 -1 1 1 4 15.24 84.80 5.8156 0 1 1 4 20.60 1.46 4.3116 1 2 0 4 21.26 1.04 4.1789 2 0 0 2 21.39 32.01 4.1547 -1 2 1 4 21.62 10.66 4.1108 0 2 1 4 21.67 63.73 4.1016 1 1 1 4 23.85 19.85 3.7305 -1 1 2 4 24.18 2.52 3.6807 -2 0 2 2 24.99 6.84 3.5625 0 0 2 2 25.77 12.37 3.4568 -2 1 2 4 26.03 5.51 3.4236 -2 2 1 4 26.54 99.01 3.3584 0 1 2 4 26.60 4.15 3.3510 1 2 1 4 27.75 1.95 3.2151 2 2 0 4 28.43 74.09 3.1394 -1 2 2 4 28.67 9.07 3.1138 1 3 0 4 29.25 2.27 3.0531 -1 3 1 4 29.42 16.18 3.0356 0 3 1 4 29.87 45.48 2.9917 -3 1 1 4 30.08 1.80 2.9710 -2 2 2 4 30.71 21.14 2.9117 2 1 1 4 30.75 3.68 2.9078 0 2 2 4 31.52 3.18 2.8382 -3 1 2 4 32.80 8.58 2.7308 1 1 2 4 32.87 4.49 2.7250 -2 3 1 4 33.33 19.77 2.6880 1 3 1 4 33.37 12.48 2.6850 3 1 0 4 33.70 100.00 2.6599 -3 2 1 4 34.27 33.41 2.6163 2 3 0 4 34.45 3.03 2.6033 2 2 1 4 34.84 4.27 2.5750 -1 3 2 4 34.87 7.09 2.5730 -2 1 3 4 35.68 48.96 2.5165 0 4 0 2 36.35 6.84 2.4716 1 2 2 4 36.80 12.64 2.4425 0 3 2 4 36.88 12.42 2.4374 3 2 0 4 37.73 17.36 2.3840 -3 1 3 4 37.88 2.58 2.3750 0 0 3 2 37.92 1.06 2.3729 0 4 1 4 38.26 4.95 2.3527 -2 2 3 4 38.55 2.31 2.3353 -4 0 2 2 38.66 29.86 2.3288 -1 2 3 4 39.34 1.07 2.2900 -3 3 1 4 39.62 3.62 2.2749 -4 1 2 4 39.95 8.32 2.2566 -4 1 1 4 40.01 1.58 2.2536 2 3 1 4 40.16 4.85 2.2457 2 0 2 2 40.73 2.47 2.2154 -2 4 1 4 40.92 6.96 2.2056 -3 2 3 4 41.12 2.51 2.1954 1 4 1 4 41.91 11.16 2.1558 2 4 0 4 42.07 1.72 2.1479 0 2 3 4 42.36 3.79 2.1339 -4 0 3 2 42.68 4.36 2.1184 -4 2 2 4 43.30 6.28 2.0894 4 0 0 2 43.40 1.99 2.0851 -2 3 3 4 43.57 4.70 2.0774 -2 4 2 4 43.77 3.30 2.0684 -1 3 3 4 44.27 23.46 2.0458 4 1 0 4 45.15 28.04 2.0082 -2 0 4 2 45.81 9.66 1.9807 -3 3 3 4 46.21 3.28 1.9646 -4 2 3 4 46.86 2.01 1.9390 2 4 1 4 46.87 1.77 1.9385 0 3 3 4 46.90 6.51 1.9374 0 5 1 4 47.43 1.40 1.9168 -3 4 2 4 47.89 1.09 1.8996 -1 1 4 4 47.94 9.46 1.8974 1 2 3 4 48.34 3.26 1.8827 1 4 2 4 48.52 6.35 1.8763 3 3 1 4 48.80 1.02 1.8662 2 3 2 4 49.14 2.68 1.8539 -5 1 2 4 49.53 8.69 1.8403 -4 0 4 2 49.62 8.07 1.8371 1 5 1 4 49.67 7.16 1.8357 -3 2 4 4 50.55 10.20 1.8056 -1 2 4 4 50.81 6.44 1.7970 -5 1 1 4 50.91 2.66 1.7936 3 1 2 4 50.92 4.11 1.7932 4 0 1 2 51.53 8.14 1.7737 4 3 0 4 51.76 9.59 1.7663 -2 5 2 4 51.78 4.46 1.7654 4 1 1 4 52.15 7.47 1.7540 0 1 4 4 52.19 5.88 1.7527 0 5 2 4 52.39 1.41 1.7463 2 0 3 2 53.02 3.98 1.7272 0 4 3 4 53.24 1.51 1.7206 2 1 3 4 53.36 3.18 1.7168 -5 2 1 4 53.53 16.53 1.7118 -4 4 2 4 54.15 4.36 1.6937 -3 5 1 4 54.31 1.30 1.6892 4 2 1 4 54.53 1.92 1.6828 3 4 1 4 54.79 25.84 1.6755 2 4 2 4 55.90 2.25 1.6449 1 6 0 4 55.92 1.00 1.6442 -5 3 2 4 56.01 1.24 1.6419 1 5 2 4 56.07 1.79 1.6402 -5 1 4 4 56.24 3.77 1.6357 -1 6 1 4 56.39 5.14 1.6317 3 5 0 4 56.55 5.24 1.6275 -4 4 3 4 57.31 2.75 1.6076 4 4 0 4 57.39 6.53 1.6056 -2 5 3 4 57.54 3.99 1.6017 3 3 2 4 57.69 1.66 1.5979 -1 5 3 4 58.15 3.48 1.5864 5 2 0 4 58.18 1.21 1.5856 -3 1 5 4 58.35 1.91 1.5815 4 3 1 4 58.47 4.27 1.5785 -5 2 4 4 58.68 7.09 1.5733 0 3 4 4 58.75 1.28 1.5716 1 6 1 4 58.83 9.57 1.5697 -2 4 4 4 58.96 1.32 1.5666 -6 0 2 2 59.36 2.07 1.5569 -6 0 3 2 59.38 8.72 1.5564 -3 5 3 4 59.69 2.25 1.5491 2 3 3 4 59.73 8.10 1.5480 -1 6 2 4 59.74 4.40 1.5480 -6 1 2 4 59.96 2.41 1.5427 -4 1 5 4 60.14 1.91 1.5386 -6 1 3 4 60.83 2.52 1.5229 1 2 4 4 60.99 3.30 1.5193 -4 5 1 4 61.05 1.45 1.5178 0 6 2 4 61.42 7.00 1.5096 -1 1 5 4 61.43 1.61 1.5093 -5 4 2 4 61.64 4.22 1.5046 -6 0 1 2 61.90 1.29 1.4990 2 5 2 4 62.34 2.23 1.4896 -5 3 4 4 62.53 4.77 1.4855 -4 4 4 4 62.75 3.46 1.4808 3 1 3 4 62.83 7.75 1.4791 -6 0 4 2 62.83 8.45 1.4790 -3 6 1 4 62.87 1.06 1.4781 -5 4 1 4 63.45 1.09 1.4661 5 1 1 4 63.58 1.01 1.4634 -6 1 4 4 63.69 3.00 1.4611 -1 2 5 4 63.78 1.42 1.4593 -3 6 2 4 63.90 1.71 1.4568 -5 1 5 4 64.25 6.50 1.4498 4 5 0 4 64.61 1.03 1.4426 1 3 4 4 64.79 1.48 1.4390 -2 3 5 4 65.68 4.36 1.4215 5 2 1 4 65.79 3.26 1.4195 -6 3 2 4 66.00 3.61 1.4154 -4 3 5 4 66.08 4.51 1.4139 -1 6 3 4 66.13 6.79 1.4130 -5 2 5 4 66.17 1.62 1.4122 -6 3 3 4 66.57 7.92 1.4047 2 1 4 4 67.38 7.39 1.3897 -1 3 5 4 67.63 1.17 1.3852 4 3 2 4 67.65 2.58 1.3849 -3 6 3 4 67.93 1.45 1.3798 6 1 0 4 68.12 1.50 1.3764 -5 5 2 4 68.24 2.47 1.3743 -2 7 1 4 68.42 1.11 1.3711 0 2 5 4 68.51 4.61 1.3695 1 7 1 4 68.65 5.58 1.3672 3 3 3 4 68.92 3.10 1.3625 -4 6 2 4 69.08 1.09 1.3597 2 7 0 4 69.32 2.04 1.3555 5 3 1 4 69.45 5.04 1.3534 -6 3 4 4 69.49 3.37 1.3527 -5 5 1 4 69.81 1.76 1.3473 -6 1 5 4 70.28 3.17 1.3394 -2 7 2 4 70.30 1.11 1.3390 4 5 1 4 70.60 2.07 1.3340 0 5 4 4 70.81 3.05 1.3307 -4 0 6 2 71.52 3.65 1.3192 -4 1 6 4 72.32 5.40 1.3066 2 3 4 4 72.73 2.08 1.3003 -7 2 3 4 72.87 2.83 1.2980 1 6 3 4 73.31 1.26 1.2914 -6 4 1 4 73.47 1.19 1.2889 -7 2 2 4 73.89 1.45 1.2827 1 7 2 4 74.28 1.41 1.2769 5 4 1 4 74.40 6.38 1.2751 -6 4 4 4 75.57 1.89 1.2582 0 8 0 2 75.78 1.04 1.2553 -3 5 5 4 76.21 2.16 1.2492 -7 3 3 4 76.86 1.83 1.2403 -1 8 1 4 77.15 1.94 1.2364 -6 5 2 4 77.99 3.46 1.2251 4 6 1 4 78.27 1.11 1.2215 3 2 4 4 78.65 1.04 1.2165 -1 5 5 4 80.96 1.12 1.1875 0 0 6 2 81.11 1.35 1.1857 7 1 0 4 81.89 3.23 1.1763 -4 4 6 4 83.33 2.70 1.1596 2 5 4 4 83.73 1.55 1.1552 -2 6 5 4 85.72 2.08 1.1334 5 1 3 4 86.52 1.66 1.1249 7 3 0 4 86.72 1.08 1.1228 4 0 4 2 86.82 1.23 1.1218 4 7 1 4 86.95 1.29 1.1204 -7 2 6 4 87.74 1.31 1.1124 5 2 3 4 87.91 2.42 1.1106 5 6 1 4 87.97 2.00 1.1101 -4 5 6 4 88.32 1.29 1.1066 -5 6 5 4 89.23 2.83 1.0977 2 8 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.