NaFe2(PO4)2(OH)*2H2O Gao S, Ng S W Acta Crystallographica E61 (2005) i268-i269 Sodium diiron(III) diphosphate hydroxide dihydrate Locality: synthetic _database_code_amcsd 0010466 CELL PARAMETERS: 9.7660 9.6920 9.8110 90.000 102.530 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 906.514 Density (g/cm3): 2.767 MAX. ABS. INTENSITY / VOLUME**2: 10.22957954 RIR: 1.204 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.59 41.16 7.6354 -1 0 1 2 13.00 59.65 6.8124 0 1 1 4 13.03 43.39 6.7965 1 1 0 4 14.46 43.03 6.1248 1 0 1 2 14.77 100.00 5.9978 -1 1 1 4 18.53 19.80 4.7887 0 0 2 2 18.61 9.69 4.7667 2 0 0 2 20.54 6.59 4.3240 0 2 1 4 20.56 7.07 4.3199 1 2 0 4 20.69 1.95 4.2932 0 1 2 4 20.77 19.96 4.2774 2 1 0 4 20.98 4.56 4.2351 -1 1 2 4 21.03 13.85 4.2237 -2 1 1 4 21.72 16.39 4.0915 -1 2 1 4 23.30 3.31 3.8177 -2 0 2 2 23.41 5.36 3.8003 1 2 1 4 24.39 5.77 3.6499 2 1 1 4 25.07 1.63 3.5521 -2 1 2 4 26.16 1.31 3.4062 0 2 2 4 26.22 6.24 3.3983 2 2 0 4 26.39 9.71 3.3770 -1 2 2 4 27.47 1.63 3.2467 -1 0 3 2 27.59 3.92 3.2330 -3 0 1 2 29.00 25.66 3.0786 -1 1 3 4 29.17 12.86 3.0614 1 2 2 4 29.17 13.49 3.0612 0 3 1 4 29.19 4.67 3.0598 1 3 0 4 29.21 12.18 3.0571 2 2 1 4 29.46 7.29 3.0322 0 1 3 4 29.58 10.40 3.0196 3 1 0 4 29.79 20.40 2.9989 -2 2 2 4 30.03 19.77 2.9753 -1 3 1 4 30.62 36.54 2.9201 2 1 2 4 31.30 3.72 2.8575 1 3 1 4 31.42 13.55 2.8469 1 0 3 2 31.54 8.16 2.8368 -2 1 3 4 31.60 26.65 2.8311 -3 1 2 4 32.79 3.56 2.7315 1 1 3 4 32.89 1.99 2.7234 3 1 1 4 33.21 2.88 2.6973 -1 2 3 4 33.31 13.97 2.6894 -3 2 1 4 33.46 13.70 2.6782 0 3 2 4 33.62 1.23 2.6659 0 2 3 4 33.68 24.28 2.6610 -2 3 1 4 34.65 11.62 2.5888 2 2 2 4 35.26 7.25 2.5451 -3 0 3 2 35.54 2.85 2.5262 -3 2 2 4 35.95 7.05 2.4982 2 3 1 4 36.43 1.32 2.4662 -2 3 2 4 36.50 2.86 2.4617 -3 1 3 4 36.61 1.12 2.4547 1 2 3 4 36.70 10.07 2.4488 3 2 1 4 37.10 3.58 2.4230 0 4 0 2 37.57 6.59 2.3943 0 0 4 2 37.86 1.40 2.3764 -1 1 4 4 38.32 6.25 2.3490 0 4 1 4 38.33 2.87 2.3483 1 4 0 4 38.36 3.28 2.3464 -4 0 2 2 38.38 3.56 2.3454 3 1 2 4 38.91 1.06 2.3144 4 1 0 4 39.34 2.36 2.2901 -1 3 3 4 39.43 1.17 2.2853 -3 3 1 4 39.79 3.98 2.2655 3 3 0 4 40.59 1.88 2.2226 2 3 2 4 41.27 3.91 2.1873 -1 2 4 4 41.43 1.38 2.1795 -4 2 1 4 41.71 3.41 2.1656 2 2 3 4 41.78 2.29 2.1620 0 4 2 4 41.90 7.91 2.1562 1 1 4 4 42.70 1.48 2.1176 -2 2 4 4 42.82 1.43 2.1119 -4 2 2 4 43.18 4.09 2.0953 -4 1 3 4 43.87 1.90 2.0639 2 4 1 4 44.28 1.52 2.0458 -2 4 2 4 44.37 1.12 2.0416 3 0 3 2 45.20 4.71 2.0059 4 2 1 4 45.36 6.39 1.9993 -3 3 3 4 45.40 2.34 1.9978 3 1 3 4 45.96 3.07 1.9746 2 0 4 2 46.27 2.74 1.9622 -4 2 3 4 46.78 2.21 1.9419 -1 4 3 4 46.86 2.97 1.9389 -3 4 1 4 47.09 8.24 1.9300 0 4 3 4 47.17 4.60 1.9268 3 4 0 4 47.25 2.32 1.9236 0 3 4 4 47.64 2.40 1.9089 -4 0 4 2 47.81 1.01 1.9026 -2 3 4 4 47.89 1.09 1.8995 1 5 0 4 47.92 7.58 1.8985 -4 3 2 4 48.12 2.36 1.8909 -2 1 5 4 48.31 1.70 1.8838 -5 1 2 4 48.51 1.16 1.8766 -2 4 3 4 48.61 1.15 1.8729 -4 1 4 4 49.39 1.54 1.8452 1 4 3 4 49.98 7.69 1.8250 4 2 2 4 50.11 1.79 1.8204 4 3 1 4 50.12 4.49 1.8200 -5 0 3 2 50.16 1.85 1.8185 -1 2 5 4 50.60 2.17 1.8039 1 0 5 2 50.82 1.32 1.7968 0 5 2 4 50.85 3.44 1.7956 2 5 0 4 50.92 1.55 1.7933 -3 1 5 4 50.97 1.80 1.7916 -2 5 1 4 51.10 6.68 1.7876 -4 3 3 4 51.29 1.88 1.7814 0 2 5 4 51.51 1.17 1.7743 5 2 0 4 51.53 1.22 1.7734 1 1 5 4 52.12 4.87 1.7549 -3 4 3 4 52.62 1.05 1.7393 2 5 1 4 53.15 1.14 1.7232 -1 4 4 4 53.52 4.77 1.7121 3 1 4 4 53.55 1.12 1.7113 3 4 2 4 53.81 2.08 1.7038 -5 2 3 4 53.83 1.20 1.7031 0 4 4 4 54.26 4.49 1.6905 1 2 5 4 54.33 1.06 1.6885 -2 4 4 4 54.46 1.55 1.6848 2 3 4 4 54.46 1.13 1.6847 5 2 1 4 54.94 4.24 1.6713 -5 3 1 4 55.19 3.79 1.6643 -1 5 3 4 55.25 6.67 1.6625 -3 5 1 4 55.46 1.69 1.6569 0 5 3 4 55.53 2.00 1.6550 -5 1 4 4 55.53 1.47 1.6548 3 5 0 4 55.95 2.48 1.6434 -4 3 4 4 56.18 1.32 1.6372 3 2 4 4 56.45 1.06 1.6302 4 4 1 4 56.70 2.95 1.6234 -2 0 6 2 56.97 1.14 1.6165 -6 0 2 2 57.49 1.79 1.6031 -6 1 1 4 57.76 2.61 1.5962 0 0 6 2 57.89 2.16 1.5928 0 6 1 4 58.05 5.54 1.5889 -3 3 5 4 58.05 1.80 1.5888 -4 2 5 4 58.61 1.74 1.5750 0 1 6 4 58.61 3.58 1.5750 1 3 5 4 58.80 6.05 1.5703 5 3 1 4 58.90 1.38 1.5680 6 1 0 4 59.68 2.69 1.5493 -3 1 6 4 59.99 1.19 1.5421 -3 5 3 4 60.36 3.30 1.5334 -6 2 2 4 60.48 1.21 1.5307 2 4 4 4 60.49 2.34 1.5306 0 6 2 4 60.52 1.55 1.5299 2 6 0 4 60.60 3.69 1.5279 -1 6 2 4 60.74 1.11 1.5248 -1 4 5 4 61.29 3.19 1.5124 4 1 4 4 61.63 1.05 1.5050 -5 4 2 4 61.73 2.43 1.5026 0 4 5 4 61.86 1.27 1.5000 5 0 3 2 62.02 2.49 1.4964 -2 5 4 4 62.08 5.42 1.4951 1 6 2 4 62.63 1.31 1.4834 -4 0 6 2 63.59 2.63 1.4631 -6 1 4 4 63.74 4.34 1.4601 4 2 4 4 63.92 1.14 1.4565 -5 2 5 4 64.14 2.83 1.4520 -6 3 1 4 64.16 1.33 1.4516 1 2 6 4 64.98 3.77 1.4353 3 2 5 4 65.82 2.45 1.4189 6 0 2 2 65.87 1.02 1.4180 -3 6 2 4 66.00 1.63 1.4155 -6 2 4 4 66.13 1.11 1.4131 3 4 4 4 66.52 2.50 1.4057 3 5 3 4 66.56 1.15 1.4049 1 6 3 4 67.74 1.14 1.3833 -1 1 7 4 68.09 1.84 1.3770 -7 1 1 4 69.66 1.72 1.3498 -6 4 1 4 69.83 1.48 1.3470 -4 6 1 4 70.07 2.07 1.3429 -1 2 7 4 70.41 1.50 1.3372 4 6 0 4 70.42 2.56 1.3371 -7 2 1 4 70.84 1.59 1.3301 0 7 2 4 70.93 1.21 1.3287 -3 5 5 4 71.83 1.53 1.3142 -6 4 3 4 72.64 1.53 1.3016 -2 7 2 4 73.09 1.14 1.2946 3 5 4 4 73.31 2.22 1.2913 -3 6 4 4 73.86 1.74 1.2830 -2 3 7 4 75.16 1.47 1.2640 7 2 1 4 75.32 1.80 1.2617 -6 1 6 4 75.45 1.89 1.2599 0 3 7 4 76.23 1.08 1.2489 -1 5 6 4 77.55 1.71 1.2310 7 1 2 4 77.71 1.41 1.2288 6 5 0 4 79.11 1.36 1.2105 -8 1 2 4 79.50 1.06 1.2057 -7 2 5 4 80.01 1.05 1.1993 -5 4 6 4 80.17 1.15 1.1972 4 7 0 4 83.78 1.02 1.1546 6 4 3 4 84.56 2.08 1.1459 -2 3 8 4 85.85 2.51 1.1320 3 8 0 4 87.43 1.08 1.1155 -7 5 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.