KFe3(AsO4)2(HAsO4)2 Schwendtner K, Kolitsch U European Journal of Mineralogy 19 (2007) 399-409 Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy _database_code_amcsd 0007220 CELL PARAMETERS: 18.9750 6.5850 10.9550 90.000 100.420 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1346.257 Density (g/cm3): 3.770 MAX. ABS. INTENSITY / VOLUME**2: 15.61240405 RIR: 1.348 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.48 67.06 9.3310 2 0 0 2 14.26 45.74 6.2098 1 1 0 4 16.04 100.00 5.5259 -1 1 1 4 16.45 35.93 5.3872 0 0 2 2 16.90 55.57 5.2453 1 1 1 4 17.46 31.25 5.0802 -2 0 2 2 20.27 5.05 4.3802 -3 1 1 4 20.47 27.92 4.3381 2 0 2 2 21.17 1.06 4.1962 -1 1 2 4 22.30 12.88 3.9868 3 1 1 4 22.49 13.12 3.9532 1 1 2 4 22.85 6.53 3.8923 -4 0 2 2 27.08 9.87 3.2925 0 2 0 2 27.41 11.35 3.2536 -5 1 1 4 27.46 22.27 3.2480 4 0 2 2 27.47 73.65 3.2471 5 1 0 4 27.94 84.35 3.1933 -1 1 3 4 28.75 25.16 3.1049 2 2 0 4 29.46 28.36 3.0324 -2 2 1 4 29.47 2.47 3.0309 1 1 3 4 29.66 5.71 3.0118 -3 1 3 4 29.81 2.12 2.9973 -5 1 2 4 29.96 21.57 2.9820 5 1 1 4 30.48 49.03 2.9331 -6 0 2 2 31.85 77.10 2.8094 0 2 2 4 32.40 41.73 2.7630 -2 2 2 4 32.90 41.31 2.7224 -2 0 4 2 33.26 25.91 2.6936 0 0 4 2 33.48 10.01 2.6764 -4 2 1 4 34.19 6.78 2.6227 2 2 2 4 34.42 15.92 2.6056 5 1 2 4 35.22 7.50 2.5483 4 2 1 4 35.85 27.98 2.5046 6 0 2 2 35.90 12.18 2.5017 -7 1 1 4 36.35 3.29 2.4715 2 0 4 2 37.04 1.25 2.4270 0 2 3 4 37.41 23.32 2.4040 -7 1 2 4 39.21 1.59 2.2976 -8 0 2 2 39.87 2.46 2.2610 6 2 0 4 39.99 5.27 2.2548 -5 1 4 4 40.13 4.21 2.2472 -6 0 4 2 40.27 2.59 2.2397 5 1 3 4 41.20 4.61 2.1910 3 1 4 4 41.64 2.39 2.1690 4 0 4 2 41.89 2.22 2.1565 6 2 1 4 42.74 19.63 2.1157 7 1 2 4 43.62 3.21 2.0748 -1 1 5 4 44.05 1.38 2.0558 -3 3 1 4 44.11 1.16 2.0529 -3 1 5 4 44.12 9.99 2.0528 4 2 3 4 44.45 3.60 2.0380 -6 2 3 4 44.50 4.81 2.0358 -1 3 2 4 45.08 1.67 2.0112 -4 2 4 4 45.20 7.13 2.0061 1 3 2 4 45.46 13.29 1.9952 -7 1 4 4 45.88 3.22 1.9778 9 1 0 4 45.91 1.20 1.9766 2 2 4 4 46.02 1.52 1.9723 -3 3 2 4 46.08 7.59 1.9698 -9 1 2 4 47.10 7.28 1.9293 5 1 4 4 47.25 2.44 1.9237 -8 2 1 4 47.78 4.75 1.9034 8 2 0 4 48.03 5.32 1.8944 3 3 2 4 48.38 2.42 1.8813 -1 3 3 4 48.55 2.80 1.8752 6 0 4 2 49.08 7.88 1.8561 -6 2 4 4 49.36 1.70 1.8463 1 3 3 4 49.48 1.10 1.8420 -3 3 3 4 49.58 9.18 1.8386 -5 3 2 4 49.87 3.29 1.8287 8 2 1 4 50.05 2.67 1.8224 -2 2 5 4 50.38 14.73 1.8113 4 2 4 4 50.44 4.05 1.8092 6 2 3 4 50.63 2.44 1.8030 0 2 5 4 50.85 3.78 1.7957 0 0 6 2 50.87 8.16 1.7950 -8 2 3 4 51.09 3.50 1.7878 -4 0 6 2 51.38 9.04 1.7785 -7 1 5 4 52.46 4.77 1.7442 -9 1 4 4 52.73 5.97 1.7361 5 3 2 4 53.18 1.46 1.7224 2 2 5 4 53.36 1.22 1.7169 8 2 2 4 54.12 23.09 1.6946 7 3 0 4 54.16 1.77 1.6934 -6 0 6 2 54.24 1.59 1.6912 -3 3 4 4 54.43 2.28 1.6856 7 1 4 4 54.70 2.44 1.6779 5 1 5 4 54.79 6.18 1.6754 -8 2 4 4 54.85 2.19 1.6737 -6 2 5 4 54.90 2.57 1.6724 -7 3 2 4 54.90 1.73 1.6723 10 0 2 2 55.05 2.80 1.6683 -11 1 1 4 55.55 3.29 1.6544 -11 1 2 4 55.85 3.65 1.6463 0 4 0 2 55.89 1.57 1.6452 7 3 1 4 55.93 1.65 1.6440 -10 2 1 4 55.97 1.56 1.6429 11 1 0 4 56.47 7.58 1.6295 6 2 4 4 56.55 4.55 1.6274 0 4 1 4 56.79 8.77 1.6212 2 4 0 4 56.84 1.83 1.6197 -5 3 4 4 57.40 2.94 1.6054 -7 3 3 4 57.74 15.97 1.5967 -2 2 6 4 57.79 1.19 1.5955 3 3 4 4 58.23 1.53 1.5845 -7 1 6 4 58.27 4.01 1.5833 11 1 1 4 58.30 6.05 1.5827 4 0 6 2 58.55 2.36 1.5765 0 2 6 4 58.64 6.11 1.5744 0 4 2 4 58.74 2.28 1.5718 -12 0 2 2 58.84 2.31 1.5694 10 2 1 4 58.96 3.63 1.5665 -8 0 6 2 58.98 2.40 1.5661 -2 4 2 4 59.43 3.08 1.5552 12 0 0 2 60.79 1.95 1.5237 4 4 1 4 60.98 3.99 1.5193 -3 1 7 4 61.12 1.74 1.5162 -4 4 2 4 61.16 2.61 1.5154 -1 1 7 4 61.18 6.44 1.5150 -7 3 4 4 61.67 1.21 1.5040 7 1 5 4 61.86 3.46 1.4999 11 1 2 4 62.07 2.07 1.4954 -2 4 3 4 62.52 6.78 1.4855 5 3 4 4 62.97 6.87 1.4761 5 1 6 4 63.34 2.04 1.4684 4 4 2 4 63.43 1.48 1.4666 6 2 5 4 63.70 10.20 1.4608 -9 1 6 4 63.74 2.11 1.4601 -9 3 3 4 64.43 1.26 1.4460 6 0 6 2 65.40 1.56 1.4270 12 0 2 2 65.77 2.02 1.4199 -13 1 2 4 66.36 2.65 1.4087 -2 4 4 4 66.49 1.74 1.4062 12 2 0 4 66.57 1.93 1.4047 0 4 4 4 66.62 2.62 1.4039 11 1 3 4 66.68 8.23 1.4026 13 1 0 4 66.72 1.17 1.4020 3 1 7 4 66.89 1.24 1.3987 -3 3 6 4 67.05 9.78 1.3959 -9 3 4 4 67.23 3.24 1.3925 -13 1 3 4 67.36 2.43 1.3901 -6 4 3 4 67.84 2.99 1.3815 -4 4 4 4 68.48 1.81 1.3701 2 4 4 4 68.58 8.22 1.3684 -2 0 8 2 68.72 1.10 1.3660 12 2 1 4 68.75 6.21 1.3653 7 3 4 4 68.99 1.41 1.3612 5 3 5 4 68.99 2.11 1.3612 -4 0 8 2 69.17 1.34 1.3581 -6 2 7 4 69.52 1.25 1.3521 -8 4 1 4 69.82 1.43 1.3472 2 2 7 4 70.10 2.71 1.3423 11 3 0 4 70.25 1.71 1.3398 -3 1 8 4 70.26 3.76 1.3397 -12 2 4 4 70.35 2.36 1.3382 -8 4 2 4 70.67 2.61 1.3330 14 0 0 2 71.61 4.26 1.3177 3 3 6 4 72.02 2.17 1.3113 4 4 4 4 72.07 4.84 1.3105 6 4 3 4 72.11 6.51 1.3099 -7 3 6 4 72.22 2.94 1.3082 0 4 5 4 72.41 1.75 1.3051 -8 4 3 4 72.44 2.52 1.3047 11 1 4 4 72.56 2.54 1.3028 10 2 4 4 72.59 1.05 1.3024 13 1 2 4 73.73 2.20 1.2850 -3 5 1 4 74.26 1.60 1.2771 -12 2 5 4 74.30 1.15 1.2765 -11 3 4 4 74.35 2.30 1.2759 -7 1 8 4 74.47 1.76 1.2741 8 4 2 4 74.49 1.38 1.2737 3 5 1 4 75.19 1.76 1.2636 -2 2 8 4 75.38 1.24 1.2609 11 3 2 4 76.35 2.74 1.2474 9 3 4 4 76.39 1.46 1.2467 3 1 8 4 76.74 1.87 1.2420 5 5 0 4 76.83 1.58 1.2407 -15 1 2 4 76.96 1.31 1.2389 -1 5 3 4 77.72 1.19 1.2287 1 5 3 4 78.18 3.42 1.2226 -2 4 6 4 78.64 1.18 1.2167 -10 2 7 4 78.98 5.86 1.2122 -13 3 2 4 79.79 1.55 1.2020 -14 2 4 4 79.83 1.79 1.2014 13 3 0 4 80.20 1.30 1.1969 -3 1 9 4 80.26 1.60 1.1961 -15 1 4 4 80.38 1.01 1.1946 5 5 2 4 80.69 1.50 1.1908 10 0 6 2 81.83 2.35 1.1771 -14 0 6 2 83.57 1.82 1.1570 4 2 8 4 84.25 1.17 1.1494 -7 5 3 4 84.29 1.20 1.1489 15 1 2 4 84.91 1.54 1.1421 -13 1 7 4 85.41 3.76 1.1366 13 3 2 4 85.61 1.40 1.1346 7 5 2 4 87.14 1.17 1.1185 11 1 6 4 87.29 1.99 1.1170 -9 5 1 4 88.46 1.38 1.1052 -5 5 5 4 89.24 2.03 1.0975 0 6 0 2 89.83 1.18 1.0919 0 6 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.