Fe Na O7 P2 Gabelica-Robert M, Goreaud M, Labbe P, Raveau B Journal of Solid State Chemistry 45 (1982) 389-395 The pyrophosphate Na Fe P2 O7: A cage structure _cod_database_code 1001846 _database_code_amcsd 0013500 CELL PARAMETERS: 7.3244 7.9045 9.5745 90.000 111.858 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 514.472 Density (g/cm3): 3.263 MAX. ABS. INTENSITY / VOLUME**2: 17.15744927 RIR: 1.712 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.02 3.83 6.7978 1 0 0 2 15.00 1.64 5.9060 0 1 1 4 17.20 4.16 5.1540 1 1 0 4 17.28 55.96 5.1311 -1 1 1 4 19.37 8.79 4.5814 -1 0 2 2 22.25 18.32 3.9957 1 1 1 4 22.43 1.54 3.9638 -1 1 2 4 22.96 26.43 3.8732 0 1 2 4 26.08 7.35 3.4167 1 2 0 4 26.13 3.60 3.4100 -1 2 1 4 26.22 24.44 3.3989 2 0 0 2 26.43 5.57 3.3727 -2 0 2 2 27.78 2.04 3.2116 1 0 2 2 28.59 36.48 3.1225 2 1 0 4 28.78 25.84 3.1021 -2 1 2 4 29.86 2.48 2.9926 -1 2 2 4 30.03 6.24 2.9754 1 1 2 4 30.26 11.90 2.9535 -1 1 3 4 30.27 88.10 2.9530 0 2 2 4 32.27 2.20 2.7737 0 1 3 4 34.81 6.31 2.5770 2 2 0 4 34.97 16.00 2.5655 -2 2 2 4 35.54 6.20 2.5261 0 3 1 4 36.61 1.33 2.4542 -1 3 1 4 37.62 2.13 2.3908 -1 0 4 2 38.89 1.25 2.3159 -3 1 1 4 38.90 9.32 2.3154 2 0 2 2 39.00 3.33 2.3096 -3 1 2 4 39.33 11.86 2.2907 -2 0 4 2 39.34 1.28 2.2901 1 3 1 4 39.45 1.44 2.2840 -1 3 2 4 39.77 6.48 2.2663 0 3 2 4 39.78 2.76 2.2659 3 0 0 2 41.02 1.21 2.2002 -2 1 4 4 42.26 6.91 2.1387 0 1 4 4 43.46 2.29 2.0824 2 3 0 4 43.59 1.80 2.0763 -2 3 2 4 43.84 4.61 2.0652 -3 2 1 4 44.64 3.53 2.0299 -1 3 3 4 45.40 6.56 1.9978 2 2 2 4 45.78 7.79 1.9819 -2 2 4 4 45.92 4.68 1.9761 0 4 0 2 46.33 8.49 1.9596 3 1 1 4 46.46 2.68 1.9544 -3 2 3 4 46.81 2.01 1.9409 -3 1 4 4 46.92 3.91 1.9366 0 2 4 4 49.29 1.74 1.8487 -1 1 5 4 49.59 1.91 1.8384 -2 1 5 4 49.80 10.20 1.8310 -4 0 2 2 50.19 3.95 1.8176 1 4 1 4 50.55 1.93 1.8056 0 4 2 4 50.70 1.45 1.8006 3 2 1 4 51.42 2.64 1.7771 1 3 3 4 52.97 1.81 1.7287 -2 3 4 4 53.32 3.56 1.7180 3 3 0 4 53.58 2.82 1.7104 -3 3 3 4 53.63 2.49 1.7088 -3 1 5 4 53.65 5.20 1.7084 2 4 0 4 53.76 7.44 1.7050 -2 4 2 4 53.99 2.11 1.6984 0 3 4 4 54.41 1.93 1.6864 -4 0 4 2 55.29 1.30 1.6614 -4 2 2 4 55.93 1.10 1.6439 0 4 3 4 57.02 3.40 1.6150 3 2 2 4 57.43 1.45 1.6045 3 3 1 4 57.84 1.20 1.5941 -3 3 4 4 57.92 1.13 1.5920 -2 0 6 2 59.18 5.59 1.5612 4 2 0 4 59.61 4.54 1.5511 -4 2 4 4 60.00 3.90 1.5418 -1 3 5 4 60.11 1.89 1.5392 -1 5 1 4 61.17 2.84 1.5150 3 1 3 4 61.71 2.63 1.5031 2 4 2 4 62.02 4.05 1.4963 -2 4 4 4 62.35 1.18 1.4893 3 4 0 4 62.42 7.57 1.4877 2 2 4 4 62.74 1.55 1.4810 0 0 6 2 62.94 8.11 1.4767 -2 2 6 4 62.95 5.40 1.4765 0 4 4 4 63.96 2.43 1.4557 0 1 6 4 65.02 1.53 1.4343 -5 1 3 4 65.17 1.82 1.4315 -2 5 2 4 65.73 1.03 1.4206 4 0 2 2 65.85 2.87 1.4183 -5 0 4 2 68.46 2.99 1.3705 -5 2 2 4 69.30 3.72 1.3559 1 3 5 4 70.06 3.15 1.3431 -4 4 2 4 70.43 1.13 1.3369 4 2 2 4 70.73 1.29 1.3319 3 3 3 4 71.21 1.96 1.3242 -4 2 6 4 71.23 3.97 1.3239 -3 5 1 4 71.30 2.69 1.3227 -3 5 2 4 71.32 1.28 1.3223 -1 1 7 4 71.36 1.08 1.3217 -3 1 7 4 71.38 2.40 1.3214 1 5 3 4 73.20 1.13 1.2930 -1 6 1 4 73.33 2.48 1.2911 0 3 6 4 73.50 1.07 1.2885 4 4 0 4 75.23 1.83 1.2631 0 6 2 4 76.37 1.60 1.2470 -5 1 6 4 77.75 2.71 1.2284 2 6 0 4 77.84 1.91 1.2271 -2 6 2 4 79.35 1.80 1.2075 -6 0 4 2 79.67 1.36 1.2035 2 0 6 2 83.39 2.74 1.1590 1 1 7 4 84.41 1.29 1.1476 5 3 1 4 84.62 1.23 1.1453 -4 4 6 4 89.29 1.41 1.0971 1 7 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.