Fe5P4O20H10 Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K Inorganic Chemistry 25 (1986) 2279-2280 Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD, hureaulite structure _database_code_amcsd 0012694 CELL PARAMETERS: 17.4920 9.0380 9.3490 90.000 96.230 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1469.280 Density (g/cm3): 3.296 MAX. ABS. INTENSITY / VOLUME**2: 9.984112644 RIR: 0.986 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.17 56.74 8.6943 2 0 0 2 11.03 78.37 8.0194 1 1 0 4 14.22 11.58 6.2277 -1 1 1 4 14.95 13.75 5.9266 1 1 1 4 18.18 3.77 4.8791 3 1 0 4 19.10 27.59 4.6469 0 0 2 2 19.64 2.54 4.5190 0 2 0 2 19.76 29.85 4.4921 -3 1 1 4 20.43 5.95 4.3472 4 0 0 2 21.33 1.10 4.1662 3 1 1 4 21.62 2.57 4.1109 -1 1 2 4 21.87 16.51 4.0640 0 2 1 4 22.17 15.88 4.0097 2 2 0 4 23.72 5.87 3.7506 -2 2 1 4 24.62 10.71 3.6164 2 2 1 4 25.23 6.98 3.5298 -3 1 2 4 26.51 8.93 3.3618 -4 0 2 2 27.53 18.02 3.2397 0 2 2 4 27.69 28.17 3.2212 3 1 2 4 28.19 22.49 3.1657 -5 1 1 4 28.49 3.50 3.1329 4 2 0 4 28.67 100.00 3.1138 -2 2 2 4 29.36 19.77 3.0416 -4 2 1 4 29.62 17.49 3.0155 4 0 2 2 30.07 9.81 2.9720 5 1 1 4 30.16 60.06 2.9633 2 2 2 4 30.85 20.34 2.8981 6 0 0 2 31.47 39.56 2.8424 1 1 3 4 32.00 5.14 2.7972 -5 1 2 4 32.80 6.17 2.7306 -3 1 3 4 33.21 9.59 2.6973 -4 2 2 4 33.52 8.66 2.6731 3 3 0 4 34.44 33.39 2.6038 -3 3 1 4 34.65 11.88 2.5884 -6 0 2 2 35.12 13.79 2.5552 0 2 3 4 35.30 9.44 2.5428 5 1 2 4 35.40 13.45 2.5355 3 3 1 4 35.58 4.85 2.5229 -1 3 2 4 35.80 5.52 2.5083 4 2 2 4 36.21 2.43 2.4808 1 3 2 4 37.24 17.51 2.4144 -6 2 1 4 37.55 1.77 2.3953 7 1 0 4 37.57 5.87 2.3942 2 2 3 4 37.79 6.79 2.3805 -7 1 1 4 37.98 1.90 2.3689 -3 3 2 4 38.07 1.40 2.3638 -5 1 3 4 38.35 1.28 2.3473 6 0 2 2 38.76 6.78 2.3234 0 0 4 2 39.02 9.97 2.3084 6 2 1 4 39.03 2.23 2.3080 -2 0 4 2 39.58 8.52 2.2771 5 3 0 4 39.84 7.09 2.2630 7 1 1 4 40.09 1.40 2.2489 -5 3 1 4 40.15 6.80 2.2461 -6 2 2 4 40.52 9.30 2.2260 -7 1 2 4 40.98 4.94 2.2024 1 1 4 4 41.49 3.79 2.1763 -3 1 4 4 41.55 15.38 2.1736 8 0 0 2 41.75 14.91 2.1634 -1 3 3 4 42.06 3.14 2.1483 -4 0 4 2 42.57 10.49 2.1238 1 3 3 4 42.62 5.90 2.1214 4 2 3 4 42.97 4.90 2.1047 -5 3 2 4 43.60 7.25 2.0759 -3 3 3 4 44.06 6.32 2.0555 -2 2 4 4 44.59 3.69 2.0320 0 4 2 4 44.71 10.50 2.0271 3 1 4 4 45.16 8.24 2.0078 -6 2 3 4 45.23 6.60 2.0049 4 4 0 4 45.94 3.07 1.9755 3 3 3 4 46.26 8.00 1.9625 4 0 4 2 46.35 3.00 1.9588 8 2 0 4 46.43 1.15 1.9557 -8 2 1 4 46.82 1.61 1.9402 -4 2 4 4 47.44 3.65 1.9166 7 3 0 4 47.87 7.30 1.9003 -5 3 3 4 48.10 2.92 1.8916 8 0 2 2 48.12 1.00 1.8911 -9 1 1 4 48.42 1.94 1.8799 8 2 1 4 48.55 1.79 1.8753 -4 4 2 4 49.35 5.76 1.8468 7 3 1 4 49.80 2.47 1.8310 -1 1 5 4 50.15 4.19 1.8189 -9 1 2 4 50.55 2.23 1.8057 7 1 3 4 50.72 2.55 1.8001 4 2 4 4 50.99 1.03 1.7911 1 1 5 4 51.27 1.61 1.7819 6 4 0 4 51.68 3.38 1.7689 -1 5 1 4 51.88 1.39 1.7625 -7 1 4 4 51.91 1.26 1.7615 1 5 1 4 52.44 4.28 1.7449 8 2 2 4 52.63 1.54 1.7389 10 0 0 2 53.07 12.28 1.7256 3 5 0 4 53.13 1.20 1.7238 6 0 4 2 53.20 2.31 1.7217 7 3 2 4 53.27 2.92 1.7195 -2 2 5 4 53.54 6.76 1.7117 3 3 4 4 53.86 2.78 1.7022 -6 4 2 4 54.11 4.12 1.6950 -9 1 3 4 54.37 7.42 1.6873 -5 3 4 4 54.39 2.99 1.6869 3 5 1 4 54.52 1.23 1.6832 -1 5 2 4 54.60 4.71 1.6809 -8 0 4 2 54.97 5.01 1.6705 1 5 2 4 55.86 3.23 1.6460 4 4 3 4 56.26 5.74 1.6350 -3 5 2 4 56.53 5.52 1.6279 6 4 2 4 56.55 11.00 1.6275 -9 3 1 4 56.59 1.95 1.6264 9 3 0 4 56.72 1.37 1.6229 10 2 0 4 56.84 9.58 1.6198 0 4 4 4 57.46 1.51 1.6039 5 5 0 4 57.96 8.69 1.5912 -6 4 3 4 58.06 1.42 1.5887 -1 3 5 4 58.13 1.03 1.5868 7 1 4 4 58.29 3.81 1.5828 -10 2 2 4 58.38 2.45 1.5807 -9 3 2 4 58.50 3.64 1.5777 9 3 1 4 58.59 3.57 1.5754 -8 2 4 4 58.67 4.21 1.5735 10 0 2 2 58.73 7.13 1.5721 7 3 3 4 58.74 4.56 1.5719 10 2 1 4 58.76 1.87 1.5714 5 3 4 4 58.92 4.84 1.5674 5 5 1 4 59.12 2.29 1.5626 -1 5 3 4 59.13 6.93 1.5624 1 3 5 4 59.35 1.13 1.5572 11 1 0 4 59.47 3.82 1.5544 -2 0 6 2 59.71 7.53 1.5485 -9 1 4 4 59.73 1.86 1.5482 -6 2 5 4 59.76 1.06 1.5475 1 5 3 4 59.81 3.77 1.5464 4 2 5 4 60.08 1.73 1.5401 -5 5 2 4 61.50 1.02 1.5078 8 0 4 2 61.54 10.78 1.5069 1 1 6 4 61.57 2.79 1.5063 0 6 0 2 61.77 1.94 1.5019 6 4 3 4 61.97 1.39 1.4974 -9 3 3 4 61.98 1.10 1.4972 2 0 6 2 62.16 3.66 1.4932 5 5 2 4 62.18 4.31 1.4928 -5 3 5 4 62.25 2.16 1.4915 3 3 5 4 62.46 3.35 1.4869 0 6 1 4 62.50 9.05 1.4860 10 2 2 4 63.27 2.87 1.4698 -2 2 6 4 63.65 2.41 1.4619 -6 4 4 4 63.92 2.72 1.4564 -5 1 6 4 64.02 1.24 1.4543 -5 5 3 4 64.28 8.69 1.4491 12 0 0 2 64.95 3.61 1.4358 -2 4 5 4 65.05 1.02 1.4338 -4 2 6 4 65.10 1.42 1.4329 0 6 2 4 65.25 1.17 1.4299 7 5 1 4 65.34 1.17 1.4281 -12 0 2 2 65.70 2.05 1.4212 7 3 4 4 65.70 3.72 1.4212 2 2 6 4 65.74 2.21 1.4205 -7 5 2 4 66.05 1.13 1.4144 -4 6 1 4 66.06 2.90 1.4143 1 5 4 4 66.60 3.03 1.4042 -11 3 1 4 66.74 2.65 1.4015 -9 1 5 4 66.90 1.12 1.3986 -10 2 4 4 66.95 1.62 1.3976 2 4 5 4 67.18 1.31 1.3935 -9 3 4 4 67.71 1.27 1.3838 -1 3 6 4 67.86 1.51 1.3812 10 2 3 4 67.90 1.12 1.3805 -10 4 1 4 68.03 3.05 1.3780 10 4 0 4 68.46 2.16 1.3705 6 4 4 4 68.52 4.43 1.3695 7 5 2 4 68.63 3.89 1.3676 -7 1 6 4 69.53 1.09 1.3520 -5 5 4 4 70.45 2.12 1.3366 6 6 0 4 70.75 1.72 1.3316 -8 0 6 2 70.76 1.32 1.3315 -6 4 5 4 71.16 1.03 1.3249 10 0 4 2 71.27 1.09 1.3232 13 1 0 4 71.47 1.88 1.3200 9 5 0 4 71.98 1.52 1.3119 -12 2 3 4 72.09 1.39 1.3102 -13 1 2 4 73.37 1.92 1.2904 7 5 3 4 73.95 1.65 1.2818 7 3 5 4 74.09 1.58 1.2796 -2 2 7 4 74.32 2.28 1.2762 4 6 3 4 74.41 1.12 1.2749 -5 1 7 4 74.47 1.63 1.2740 1 7 1 4 75.43 1.69 1.2603 3 7 0 4 75.56 1.00 1.2583 -4 2 7 4 75.98 1.23 1.2524 3 1 7 4 78.10 1.61 1.2236 -3 7 2 4 78.58 1.45 1.2174 8 6 1 4 78.75 1.41 1.2152 -8 6 2 4 79.12 1.42 1.2104 5 7 0 4 80.14 1.20 1.1976 14 2 0 4 80.36 1.98 1.1949 4 6 4 4 80.74 1.39 1.1902 -14 2 2 4 81.08 1.50 1.1861 -9 5 4 4 82.01 1.10 1.1750 -8 6 3 4 82.12 1.81 1.1737 12 0 4 2 82.57 1.17 1.1683 11 5 1 4 82.83 1.05 1.1654 10 2 5 4 83.12 1.55 1.1620 -11 1 6 4 83.21 1.57 1.1610 8 2 6 4 83.49 1.29 1.1579 3 7 3 4 83.69 1.11 1.1556 -10 4 5 4 83.82 1.39 1.1541 -3 1 8 4 83.96 1.09 1.1526 -8 2 7 4 84.29 1.09 1.1489 -2 4 7 4 84.81 1.07 1.1432 -5 5 6 4 85.90 1.02 1.1315 14 2 2 4 85.97 2.77 1.1307 -5 1 8 4 86.70 1.70 1.1230 -12 4 4 4 86.85 1.64 1.1215 0 8 1 4 89.39 1.16 1.0961 -11 5 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.