Fe K O7 P2 Riou D, Labbe P, Goreaud M European Journal of Solid State and Inorganic Chemistry 25 (1988) 215-229 The diphosphate K Fe P2 O7: Structure and possibilities for insertion in the host framework _cod_database_code 1001388 _database_code_amcsd 0012518 CELL PARAMETERS: 7.3523 9.9875 8.1872 90.000 106.498 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 576.444 Density (g/cm3): 3.098 MAX. ABS. INTENSITY / VOLUME**2: 10.71043167 RIR: 1.126 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.56 4.37 7.0496 1 0 0 2 14.35 5.13 6.1719 0 1 1 4 15.38 95.21 5.7594 1 1 0 4 16.85 32.28 5.2623 -1 1 1 4 17.76 3.64 4.9938 0 2 0 2 21.09 1.65 4.2135 0 2 1 4 21.81 1.58 4.0749 1 2 0 4 22.58 2.23 3.9373 -1 0 2 2 22.65 82.70 3.9251 0 0 2 2 24.30 10.07 3.6630 -1 1 2 4 24.37 6.26 3.6531 0 1 2 4 25.27 11.12 3.5248 2 0 0 2 26.24 30.42 3.3959 1 2 1 4 26.82 1.29 3.3239 2 1 0 4 28.84 3.31 3.0957 -2 0 2 2 28.88 18.85 3.0919 -1 2 2 4 28.93 6.67 3.0859 0 2 2 4 29.01 2.80 3.0779 1 0 2 2 29.14 15.46 3.0649 0 3 1 4 29.68 72.60 3.0104 1 3 0 4 30.22 26.68 2.9570 -2 1 2 4 30.39 62.18 2.9414 1 1 2 4 30.48 99.98 2.9324 -2 2 1 4 31.06 2.78 2.8797 2 2 0 4 34.07 4.42 2.6312 -2 2 2 4 34.19 20.88 2.6225 -1 1 3 4 35.35 1.27 2.5389 0 3 2 4 35.97 16.04 2.4969 0 4 0 2 37.15 4.42 2.4203 2 3 0 4 37.63 1.62 2.3906 -2 1 3 4 37.80 20.18 2.3799 -3 1 1 4 37.81 1.09 2.3794 0 4 1 4 38.24 2.19 2.3536 1 4 0 4 38.30 4.34 2.3499 3 0 0 2 38.89 2.78 2.3157 -1 4 1 4 39.39 2.60 2.2874 3 1 0 4 39.75 2.02 2.2677 -3 1 2 4 39.76 1.38 2.2671 -2 3 2 4 39.89 5.52 2.2600 1 3 2 4 40.86 2.87 2.2083 -2 2 3 4 41.03 1.32 2.1999 -3 2 1 4 41.06 5.84 2.1980 1 1 3 4 41.11 2.60 2.1955 2 3 1 4 42.52 5.56 2.1262 3 2 0 4 42.89 1.22 2.1086 -1 4 2 4 42.96 14.55 2.1054 -1 3 3 4 43.05 4.45 2.1010 2 2 2 4 44.20 5.74 2.0492 3 1 1 4 44.25 6.98 2.0468 -1 0 4 2 44.47 10.34 2.0375 2 4 0 4 44.84 4.03 2.0211 -3 1 3 4 46.26 15.35 1.9625 0 0 4 2 46.85 2.01 1.9391 1 4 2 4 46.94 1.97 1.9358 0 5 1 4 47.30 1.18 1.9218 1 5 0 4 47.35 4.00 1.9198 3 3 0 4 47.66 5.22 1.9081 -3 3 2 4 47.85 12.35 1.9010 -1 5 1 4 49.79 3.17 1.8315 -2 2 4 4 49.79 1.54 1.8314 2 1 3 4 50.38 6.13 1.8114 -4 0 2 2 50.52 2.43 1.8064 0 4 3 4 51.26 2.27 1.7824 -4 1 2 4 51.57 4.49 1.7724 3 3 1 4 51.78 3.36 1.7655 1 0 4 2 52.14 1.43 1.7541 -3 3 3 4 52.17 2.43 1.7532 -2 4 3 4 52.37 1.89 1.7471 -3 1 4 4 52.42 2.08 1.7455 2 2 3 4 52.64 4.31 1.7386 1 1 4 4 52.67 2.54 1.7378 2 5 0 4 53.19 15.74 1.7220 -4 2 1 4 53.55 2.60 1.7112 3 4 0 4 53.83 2.03 1.7029 -3 4 2 4 54.00 5.46 1.6980 2 4 2 4 54.12 2.19 1.6946 -2 3 4 4 54.26 2.41 1.6906 0 3 4 4 54.68 3.32 1.6787 -4 1 3 4 54.79 1.07 1.6756 1 5 2 4 54.88 5.10 1.6728 1 4 3 4 54.91 1.48 1.6721 -3 2 4 4 55.18 2.63 1.6646 0 6 0 2 56.61 1.36 1.6258 2 3 3 4 57.12 5.79 1.6127 -1 1 5 4 57.24 2.67 1.6095 -1 5 3 4 57.32 2.18 1.6075 -1 6 1 4 57.98 2.64 1.5908 -3 4 3 4 58.19 3.38 1.5855 3 3 2 4 58.98 2.86 1.5659 -3 3 4 4 59.24 4.69 1.5598 1 3 4 4 59.33 1.26 1.5576 4 3 0 4 59.73 12.64 1.5483 -3 5 1 4 59.90 2.51 1.5443 4 2 1 4 60.12 3.72 1.5390 2 0 4 2 60.23 5.94 1.5364 -2 2 5 4 60.37 2.35 1.5332 -1 6 2 4 60.40 3.92 1.5325 0 6 2 4 60.70 1.95 1.5258 3 1 3 4 61.28 3.70 1.5126 -2 6 1 4 61.62 2.15 1.5052 2 6 0 4 61.96 7.17 1.4977 0 2 5 4 62.17 1.33 1.4932 2 4 3 4 62.86 1.26 1.4784 -4 4 1 4 63.44 1.13 1.4662 -4 4 2 4 63.45 1.20 1.4661 -2 6 2 4 64.03 4.43 1.4541 -3 2 5 4 64.22 1.47 1.4504 -5 1 2 4 64.43 1.11 1.4462 2 6 1 4 64.49 2.91 1.4449 4 1 2 4 64.66 1.16 1.4416 1 4 4 4 66.67 3.50 1.4029 -5 2 1 4 66.83 1.79 1.3999 0 5 4 4 66.91 6.81 1.3984 1 7 0 4 67.04 2.02 1.3961 5 1 0 4 67.98 4.12 1.3790 -2 6 3 4 68.46 1.66 1.3705 -4 1 5 4 68.67 1.65 1.3669 -5 2 3 4 68.99 3.13 1.3613 4 4 1 4 69.55 3.56 1.3517 2 6 2 4 70.14 2.09 1.3416 -5 3 2 4 71.00 3.23 1.3275 -5 1 4 4 71.31 1.95 1.3225 2 7 0 4 71.95 1.55 1.3124 5 1 1 4 72.09 4.90 1.3101 2 4 4 4 74.67 1.21 1.2711 -2 6 4 4 74.79 1.03 1.2695 0 6 4 4 75.11 6.83 1.2648 -1 5 5 4 75.54 5.24 1.2586 4 2 3 4 75.75 1.92 1.2557 -2 5 5 4 77.14 2.91 1.2364 3 3 4 4 77.24 1.38 1.2351 -5 4 3 4 77.54 2.91 1.2311 -4 0 6 2 77.98 1.15 1.2252 -6 0 2 2 78.26 1.67 1.2216 3 5 3 4 78.31 3.11 1.2210 -3 3 6 4 79.80 2.81 1.2019 -5 2 5 4 80.04 1.58 1.1989 -6 1 3 4 84.01 1.06 1.1521 -1 1 7 4 85.34 1.10 1.1374 -4 5 5 4 88.01 2.25 1.1097 1 7 4 4 88.56 1.13 1.1042 -4 4 6 4 89.59 1.53 1.0942 0 2 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.