F Fe H4 N O4 P Loiseau T, Calage Y, Lacorre P, Ferey G Journal of Solid State Chemistry 111 (1994) 390-396 NH4FePO4F: structural study and magnetic properties _cod_database_code 1000359 _database_code_amcsd 0013817 CELL PARAMETERS: 12.9930 6.4680 10.6400 90.000 90.000 90.000 SPACE GROUP: Pna2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 894.172 Density (g/cm3): 2.790 MAX. ABS. INTENSITY / VOLUME**2: 14.45601657 RIR: 1.687 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.63 17.39 6.4965 2 0 0 2 15.30 33.90 5.7902 1 1 0 4 15.98 87.23 5.5447 2 0 1 2 16.04 100.00 5.5269 0 1 1 2 17.44 1.94 5.0859 1 1 1 4 21.10 9.91 4.2096 2 1 1 4 24.74 5.55 3.5987 3 1 0 4 25.65 5.80 3.4725 2 1 2 4 26.14 23.50 3.4090 3 1 1 4 27.46 1.74 3.2483 4 0 0 2 27.58 1.16 3.2340 0 2 0 2 28.68 31.30 3.1130 2 0 3 2 28.71 33.42 3.1098 0 1 3 2 28.74 1.44 3.1067 4 0 1 2 29.68 4.53 3.0101 1 2 1 4 29.98 1.06 2.9808 3 1 2 4 31.96 32.51 2.8004 4 1 1 4 32.04 22.53 2.7935 2 2 1 4 32.29 34.74 2.7723 4 0 2 2 32.40 43.89 2.7635 0 2 2 2 33.69 11.63 2.6600 0 0 4 1 35.29 7.31 2.5430 2 2 2 4 35.54 5.17 2.5261 3 1 3 4 35.66 1.76 2.5177 3 2 1 4 40.14 1.71 2.2463 4 1 3 4 40.21 1.95 2.2428 2 2 3 4 41.10 13.73 2.1962 5 1 2 4 41.71 4.57 2.1655 6 0 0 2 42.50 5.63 2.1269 1 3 0 4 43.24 1.77 2.0923 3 2 3 4 44.00 6.37 2.0580 4 0 4 2 44.08 7.62 2.0544 0 2 4 2 44.82 2.79 2.0223 2 0 5 2 44.84 2.98 2.0214 0 1 5 2 44.96 2.80 2.0163 6 1 1 4 45.12 1.44 2.0094 2 3 1 4 45.59 2.48 1.9899 5 2 1 4 45.95 3.97 1.9749 1 3 2 4 46.35 2.62 1.9588 2 2 4 4 47.08 1.27 1.9301 3 3 0 4 47.90 3.62 1.8991 3 3 1 4 49.30 4.25 1.8482 6 0 3 2 49.47 6.02 1.8423 0 3 3 2 49.78 2.26 1.8317 3 1 5 4 50.74 1.20 1.7994 6 2 0 4 51.13 7.61 1.7865 5 1 4 4 51.42 2.30 1.7771 6 1 3 4 51.56 3.80 1.7724 2 3 3 4 51.97 2.85 1.7596 7 1 1 4 51.99 1.47 1.7590 5 2 3 4 52.72 20.30 1.7363 4 2 4 4 53.38 4.23 1.7162 4 1 5 4 53.44 3.85 1.7146 2 2 5 4 53.78 2.29 1.7045 6 2 2 4 54.10 4.74 1.6953 3 3 3 4 55.37 4.61 1.6593 5 3 0 4 56.68 5.51 1.6241 8 0 0 2 56.95 5.15 1.6170 0 4 0 2 57.51 3.45 1.6025 4 3 3 4 57.85 3.77 1.5938 7 1 3 4 58.25 1.28 1.5840 5 3 2 4 58.85 1.99 1.5691 2 4 0 4 59.14 1.41 1.5622 3 3 4 4 59.30 3.07 1.5582 8 1 1 4 59.38 4.74 1.5565 4 0 6 2 59.44 5.99 1.5549 0 2 6 2 59.55 3.27 1.5523 2 4 1 4 61.20 1.85 1.5145 0 3 5 2 62.30 2.47 1.4904 6 2 4 4 62.78 3.04 1.4800 2 0 7 2 62.80 4.05 1.4797 0 1 7 2 63.02 1.29 1.4750 2 3 5 4 64.76 2.51 1.4396 8 1 3 4 64.99 2.17 1.4350 2 4 3 4 65.32 2.63 1.4286 5 1 6 4 66.34 2.12 1.4090 9 1 0 4 66.40 9.92 1.4078 5 3 4 4 66.65 2.07 1.4032 6 3 3 4 66.81 1.93 1.4002 8 2 2 4 67.00 2.47 1.3968 4 4 2 4 67.12 1.86 1.3945 7 3 1 4 67.83 1.06 1.3817 0 4 4 2 68.34 2.04 1.3727 4 3 5 4 68.65 2.74 1.3672 7 1 5 4 69.07 1.15 1.3599 7 3 2 4 69.56 1.15 1.3515 2 4 4 4 70.85 3.57 1.3300 0 0 8 1 72.25 3.22 1.3076 7 3 3 4 72.99 1.10 1.2962 1 1 8 4 74.04 1.53 1.2803 5 4 3 4 74.47 2.81 1.2741 8 2 4 4 75.46 1.94 1.2598 2 5 1 4 75.53 1.08 1.2588 6 4 2 4 78.51 1.27 1.2183 8 3 3 4 79.98 1.31 1.1996 9 3 0 4 80.42 1.06 1.1941 3 3 7 4 82.14 1.35 1.1735 7 3 5 4 82.42 1.78 1.1702 9 3 2 4 85.89 1.38 1.1315 5 5 2 4 86.86 1.25 1.1214 4 4 6 4 88.53 1.02 1.1045 6 5 1 4 89.51 1.01 1.0949 4 1 9 4 89.63 1.62 1.0938 8 1 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.