Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O Mereiter K Acta Crystallographica C46 (1990) 972-976 Structure of a triclinic rubidium ammonium triaqua-u3-oxo-hexa-u-sulfato-triferrate(III) tetrahydrate, Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O Note: x-coordinate of Wat26 changed by the author, March 2013 _database_code_amcsd 0010143 CELL PARAMETERS: 9.7830 9.5860 18.3890 95.300 93.190 118.120 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1504.767 Density (g/cm3): 2.575 MAX. ABS. INTENSITY / VOLUME**2: 7.435701697 RIR: 0.940 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 4.86 1.44 18.1932 0 0 1 2 9.72 100.00 9.0966 0 0 2 2 10.32 14.67 8.5730 1 0 0 2 10.56 38.40 8.3775 0 1 0 2 10.66 25.49 8.3020 -1 1 0 2 10.90 10.91 8.1167 -1 0 1 2 11.02 1.28 8.0315 0 -1 1 2 11.61 11.48 7.6225 1 -1 1 2 11.82 10.70 7.4850 -1 1 1 2 11.90 25.06 7.4380 1 0 1 2 12.21 2.98 7.2477 0 1 1 2 13.37 4.74 6.6235 -1 0 2 2 13.37 12.73 6.6228 0 -1 2 2 14.27 8.53 6.2070 1 -1 2 2 14.98 1.21 5.9144 1 0 2 2 15.31 6.24 5.7862 0 1 2 2 16.93 5.36 5.2377 -1 0 3 2 17.96 1.94 4.9383 -1 -1 1 2 18.18 6.09 4.8806 -2 1 0 2 18.32 5.72 4.8418 -1 1 3 2 18.59 6.83 4.7742 -2 1 1 2 18.59 4.26 4.7722 -1 2 0 2 18.85 2.73 4.7066 1 0 3 2 19.33 2.33 4.5914 1 1 1 2 19.52 2.93 4.5483 0 0 4 2 20.21 3.69 4.3928 1 -2 2 2 20.72 5.20 4.2865 2 0 0 2 21.11 2.43 4.2077 0 -2 1 2 21.21 1.89 4.1887 0 2 0 2 21.80 3.65 4.0768 -1 2 2 2 21.83 6.29 4.0709 2 0 1 2 21.85 2.78 4.0683 2 -2 1 2 21.90 3.32 4.0583 -2 0 2 2 22.08 6.25 4.0260 -2 2 1 2 22.41 13.60 3.9668 0 2 1 2 22.51 1.99 3.9490 -1 1 4 2 22.81 11.92 3.8989 -2 1 3 2 23.34 7.74 3.8112 2 -2 2 2 23.78 1.23 3.7425 -2 2 2 2 23.97 7.25 3.7124 2 -1 3 2 24.03 7.73 3.7031 -2 0 3 2 24.14 2.09 3.6865 0 -2 3 2 24.46 1.24 3.6386 0 0 5 2 24.57 2.44 3.6238 0 2 2 2 24.76 2.66 3.5954 -1 2 3 2 24.87 24.32 3.5797 1 1 3 2 25.34 3.04 3.5149 0 -1 5 2 25.71 1.30 3.4645 2 -2 3 2 25.81 22.70 3.4523 1 -2 4 2 26.10 7.27 3.4139 -2 1 4 2 26.31 5.87 3.3876 -2 2 3 2 26.79 2.02 3.3277 2 0 3 2 26.92 14.61 3.3117 -2 0 4 2 26.92 24.62 3.3114 0 -2 4 2 27.30 5.29 3.2665 -2 -1 1 2 27.46 16.89 3.2480 0 2 3 2 27.47 19.74 3.2472 2 -1 4 2 27.55 7.40 3.2382 2 1 0 2 27.80 1.06 3.2090 -3 1 1 2 27.95 4.26 3.1924 -2 -1 2 2 28.31 31.12 3.1529 -1 2 4 2 28.31 35.87 3.1520 -1 -1 5 2 28.36 1.86 3.1470 1 -3 1 2 28.45 12.94 3.1375 -3 2 1 2 28.48 7.84 3.1341 -1 3 0 2 28.54 6.31 3.1271 3 -1 1 2 28.56 4.67 3.1250 1 1 4 2 28.59 1.71 3.1221 -2 3 0 2 28.66 20.16 3.1151 2 1 1 2 28.68 6.09 3.1128 3 -2 1 2 28.77 12.29 3.1035 2 -2 4 2 28.97 4.27 3.0817 1 2 1 2 29.10 16.34 3.0688 1 -3 2 2 29.43 6.84 3.0350 -2 -1 3 2 29.45 1.09 3.0333 -1 3 1 2 29.48 7.11 3.0299 -2 2 4 2 29.49 5.61 3.0288 1 -2 5 2 29.56 1.62 3.0215 -1 -2 3 2 29.61 5.36 3.0173 -3 2 2 2 29.88 8.18 2.9899 -2 1 5 2 30.05 4.75 2.9738 3 -2 2 2 30.13 1.96 2.9659 -1 0 6 2 30.16 7.07 2.9630 3 -1 2 2 30.22 1.61 2.9572 2 0 4 2 30.37 4.28 2.9428 -2 0 5 2 30.46 9.21 2.9345 -3 1 3 2 30.55 4.05 2.9263 2 1 2 2 30.64 6.36 2.9181 1 -3 3 2 30.89 5.41 2.8947 1 2 2 2 30.91 1.51 2.8931 0 2 4 2 30.91 3.99 2.8930 -2 3 2 2 31.13 1.59 2.8732 -3 0 1 2 31.30 4.37 2.8577 3 0 0 2 31.32 2.57 2.8564 2 -3 3 2 31.39 14.64 2.8495 2 -1 5 2 31.52 4.63 2.8383 -3 2 3 2 31.64 4.50 2.8279 -2 -1 4 2 31.66 2.08 2.8263 -1 1 6 2 31.74 1.40 2.8189 -3 0 2 2 31.76 4.61 2.8177 0 -3 1 2 32.15 1.52 2.7843 3 -2 3 2 32.24 2.78 2.7765 0 -3 2 2 32.35 2.05 2.7673 -3 3 0 2 32.61 3.60 2.7457 3 -3 1 2 32.63 5.66 2.7440 1 1 5 2 32.87 3.00 2.7247 -3 1 4 2 33.13 5.68 2.7041 -2 2 5 2 33.46 2.71 2.6781 1 2 3 2 33.47 1.90 2.6772 0 -3 3 2 33.60 1.21 2.6673 -1 3 3 2 33.69 9.01 2.6602 2 -3 4 2 33.93 1.74 2.6423 3 0 2 2 34.07 5.72 2.6312 2 0 5 2 34.09 2.10 2.6302 0 -2 6 2 34.09 4.04 2.6299 -3 3 2 2 34.49 1.32 2.6002 -1 -2 5 2 34.85 1.41 2.5740 0 3 2 2 35.33 1.68 2.5408 3 -3 3 2 35.37 1.11 2.5374 3 -1 4 2 36.47 1.70 2.4635 -1 1 7 2 36.48 5.89 2.4633 2 2 0 2 36.52 1.65 2.4604 -1 2 6 2 36.56 2.47 2.4577 -1 3 4 2 36.56 1.35 2.4576 1 2 4 2 36.83 3.45 2.4403 -4 2 0 2 36.92 5.44 2.4348 -4 2 1 2 37.14 1.26 2.4209 -2 2 6 2 37.27 2.35 2.4127 1 0 7 2 37.48 6.10 2.3997 -3 -1 1 2 37.70 3.86 2.3861 -2 4 0 2 37.77 1.28 2.3819 -3 0 5 2 38.07 2.66 2.3639 3 -2 5 2 38.11 2.53 2.3611 2 -4 2 2 38.24 1.61 2.3533 2 0 6 2 38.42 1.48 2.3433 -2 1 7 2 38.42 2.62 2.3428 -2 0 7 2 38.79 4.86 2.3212 -3 -1 3 2 38.80 6.94 2.3212 1 -4 1 2 38.82 1.59 2.3200 -4 3 0 2 38.94 4.02 2.3127 0 2 6 2 39.00 1.19 2.3097 1 -3 6 2 39.17 1.88 2.2999 1 -4 2 2 39.20 4.87 2.2984 4 -3 1 2 39.30 1.04 2.2923 2 -4 3 2 39.33 1.19 2.2907 3 -4 1 2 39.63 5.44 2.2742 0 0 8 2 39.64 1.50 2.2735 0 -1 8 2 39.72 2.24 2.2691 2 1 5 2 39.85 2.16 2.2624 -1 0 8 2 39.92 1.22 2.2586 -3 4 1 2 40.01 1.78 2.2535 2 -3 6 2 40.10 3.75 2.2488 1 2 5 2 40.10 2.02 2.2486 0 3 4 2 40.21 2.06 2.2425 4 -3 2 2 40.47 2.65 2.2287 3 -3 5 2 40.50 1.48 2.2271 2 -2 7 2 40.67 3.40 2.2183 -1 -3 4 2 40.87 2.59 2.2078 -3 0 6 2 40.88 1.82 2.2076 0 -3 6 2 41.10 2.21 2.1964 2 -4 4 2 41.15 5.15 2.1936 -3 4 2 2 41.26 2.48 2.1883 -1 -1 8 2 41.42 3.35 2.1800 -1 1 8 2 41.53 1.07 2.1744 -4 3 3 2 41.53 1.00 2.1743 -1 4 2 2 42.21 1.66 2.1408 -4 0 2 2 42.25 1.20 2.1391 1 0 8 2 42.49 1.14 2.1277 3 -1 6 2 42.57 1.54 2.1236 0 1 8 2 42.79 1.04 2.1132 0 -4 1 2 42.86 1.52 2.1100 -2 0 8 2 42.93 1.28 2.1068 4 -2 4 2 43.06 1.67 2.1004 -3 1 7 2 43.89 2.40 2.0629 -2 -2 6 2 44.30 1.28 2.0448 0 -3 7 2 44.67 3.11 2.0286 4 -1 4 2 44.84 2.73 2.0215 0 0 9 2 45.30 1.94 2.0019 3 1 4 2 45.42 1.32 1.9969 -1 -2 8 2 45.48 1.03 1.9944 -2 -1 8 2 46.06 1.29 1.9704 -2 -3 1 2 46.55 1.43 1.9509 2 3 0 2 46.65 1.60 1.9471 4 -3 5 2 47.16 1.14 1.9271 -5 3 1 2 47.42 1.41 1.9173 -2 4 5 2 47.51 1.56 1.9136 -2 0 9 2 47.82 1.15 1.9023 -3 -2 4 2 47.86 1.20 1.9006 -1 3 7 2 48.22 1.13 1.8872 -4 -1 1 2 48.63 4.53 1.8725 -5 1 1 2 48.95 1.38 1.8608 -5 1 2 2 49.01 3.79 1.8586 -1 -4 1 2 49.06 2.27 1.8569 -1 -4 2 2 49.65 1.04 1.8362 -1 -4 3 2 49.71 2.47 1.8341 -2 -3 5 2 49.88 1.03 1.8281 3 -2 8 2 49.97 1.86 1.8253 -4 2 7 2 50.14 7.20 1.8193 0 0 10 2 50.57 5.13 1.8049 4 -5 1 2 50.57 1.63 1.8048 -4 5 0 2 50.73 1.21 1.7996 -5 3 4 2 50.87 1.38 1.7950 3 2 3 2 51.06 1.03 1.7888 4 1 2 2 51.64 1.00 1.7701 -3 5 3 2 51.97 1.07 1.7595 2 -5 5 2 52.08 1.25 1.7560 5 -3 4 2 52.16 1.07 1.7537 1 -2 10 2 52.23 1.85 1.7514 -1 3 8 2 52.39 1.35 1.7463 -1 -4 5 2 52.61 1.57 1.7398 -4 3 7 2 52.63 1.30 1.7390 -1 4 6 2 52.68 1.67 1.7374 5 -1 3 2 52.92 1.78 1.7302 0 1 10 2 53.14 1.46 1.7236 1 -4 8 2 53.15 1.11 1.7231 -3 2 9 2 53.40 1.03 1.7157 -4 1 8 2 53.71 1.20 1.7067 -4 5 3 2 53.75 1.96 1.7053 2 3 4 2 54.08 1.02 1.6959 1 4 3 2 54.30 1.45 1.6893 5 0 1 2 54.39 1.59 1.6870 3 -2 9 2 55.26 1.62 1.6624 3 -4 8 2 55.40 1.52 1.6584 -5 1 6 2 55.40 1.14 1.6584 -3 -3 2 2 55.55 1.41 1.6543 1 -3 10 2 55.59 1.41 1.6533 -1 -3 9 2 55.64 1.50 1.6519 -3 -1 9 2 55.71 1.77 1.6500 4 -5 5 2 56.39 1.87 1.6317 -1 4 7 2 56.53 1.16 1.6278 1 4 4 2 57.02 1.46 1.6150 -1 -4 7 2 57.23 1.27 1.6096 0 5 2 2 57.48 1.41 1.6032 5 0 3 2 57.98 1.38 1.5907 -3 6 0 2 58.18 1.83 1.5856 -4 5 5 2 59.13 1.82 1.5624 -2 -1 11 2 59.75 1.01 1.5477 -5 5 4 2 59.79 1.10 1.5468 -2 6 1 2 59.87 1.81 1.5449 3 1 8 2 60.43 2.02 1.5320 -4 3 9 2 60.46 1.22 1.5312 -1 4 8 2 61.37 1.62 1.5108 -2 -4 6 2 61.95 1.52 1.4980 -6 5 0 2 63.39 1.17 1.4673 -6 2 6 2 63.42 1.22 1.4666 -6 1 5 2 70.66 1.07 1.3332 3 -1 12 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.