K(H2O)Fe(H1.5AsO4)2(H2AsO4) 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 0007221 CELL PARAMETERS: 4.7000 8.7120 13.8280 90.000 94.860 90.000 SPACE GROUP: P2/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 564.171 Density (g/cm3): 3.147 MAX. ABS. INTENSITY / VOLUME**2: 25.14292563 RIR: 2.601 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.15 1.39 8.7120 0 1 0 2 12.02 100.00 7.3635 0 1 1 4 12.85 15.87 6.8891 0 0 2 2 16.40 32.05 5.4038 0 1 2 4 19.50 16.25 4.5531 -1 0 1 2 20.54 8.54 4.3238 1 0 1 2 21.39 18.73 4.1534 0 2 1 4 21.54 2.98 4.1249 1 1 0 4 21.88 14.18 4.0628 0 1 3 4 22.96 6.60 3.8730 1 1 1 4 24.31 5.51 3.6615 -1 1 2 4 25.87 1.14 3.4446 0 0 4 2 25.99 24.15 3.4281 1 1 2 4 26.00 11.11 3.4274 -1 0 3 2 27.85 22.96 3.2033 0 1 4 4 27.97 40.40 3.1895 1 2 0 4 27.97 27.76 3.1895 -1 1 3 4 28.24 12.07 3.1605 0 2 3 4 28.35 15.08 3.1484 1 0 3 2 28.36 1.19 3.1475 -1 2 1 4 29.10 14.37 3.0687 1 2 1 4 30.18 21.58 2.9610 1 1 3 4 30.19 4.53 2.9602 -1 2 2 4 30.79 11.06 2.9040 0 3 0 2 31.48 2.27 2.8416 0 3 1 4 32.60 8.10 2.7467 -1 1 4 4 33.16 4.56 2.7019 0 2 4 4 33.26 38.43 2.6936 -1 2 3 4 35.17 12.12 2.5519 1 1 4 4 36.61 3.20 2.4545 0 3 3 4 36.71 11.62 2.4484 -1 3 1 4 37.30 1.23 2.4107 1 3 1 4 37.30 2.28 2.4107 -1 2 4 4 38.18 2.22 2.3571 -1 3 2 4 38.44 4.96 2.3416 2 0 0 2 39.23 3.03 2.2964 0 0 6 2 39.32 1.65 2.2912 1 3 2 4 39.59 1.43 2.2765 -2 0 2 2 39.87 3.62 2.2612 -2 1 1 4 40.63 1.07 2.2205 0 1 6 4 40.98 1.11 2.2026 -2 1 2 4 42.08 4.75 2.1474 -1 2 5 4 42.34 3.66 2.1346 1 3 3 4 43.11 4.48 2.0982 2 1 2 4 43.66 1.03 2.0732 -1 1 6 4 43.90 3.13 2.0624 -2 2 1 4 44.68 6.09 2.0281 1 2 5 4 45.37 2.13 1.9989 0 3 5 4 45.95 1.67 1.9749 1 4 0 4 46.13 6.74 1.9679 0 4 3 4 46.17 1.22 1.9660 2 1 3 4 46.18 2.51 1.9656 -2 1 4 4 46.20 2.06 1.9648 -1 4 1 4 46.93 2.37 1.9362 -2 2 3 4 47.35 3.87 1.9199 0 1 7 4 47.43 2.66 1.9168 -1 2 6 4 48.40 1.21 1.8807 1 4 2 4 48.64 2.91 1.8721 -1 0 7 2 49.51 6.95 1.8409 0 4 4 4 49.80 1.90 1.8311 2 2 3 4 50.03 3.14 1.8232 2 1 4 4 50.04 2.34 1.8228 2 3 0 4 50.04 1.32 1.8228 -2 3 1 4 50.28 4.49 1.8146 1 2 6 4 50.68 1.82 1.8013 0 3 6 4 50.75 1.28 1.7990 1 3 5 4 50.91 1.64 1.7937 0 2 7 4 50.97 2.17 1.7918 2 3 1 4 50.97 1.76 1.7916 -2 3 2 4 50.99 2.39 1.7912 1 4 3 4 52.59 1.23 1.7403 -1 4 4 4 52.79 1.52 1.7341 2 3 2 4 52.80 2.46 1.7339 -2 3 3 4 53.18 2.04 1.7223 0 0 8 2 53.26 1.06 1.7200 -1 2 7 4 53.47 4.22 1.7137 -2 0 6 2 53.64 1.26 1.7087 0 4 5 4 54.37 1.30 1.6874 1 4 4 4 54.56 1.08 1.6819 2 1 5 4 55.45 2.97 1.6572 2 3 3 4 55.45 1.81 1.6569 -2 3 4 4 56.34 5.97 1.6330 1 5 0 4 56.48 1.11 1.6293 0 3 7 4 56.49 1.45 1.6291 0 5 3 4 57.62 1.30 1.5996 -1 5 2 4 58.64 5.59 1.5742 2 0 6 2 58.67 5.75 1.5735 -1 3 7 4 58.87 1.82 1.5687 -2 3 5 4 59.51 1.88 1.5534 -1 2 8 4 59.71 1.57 1.5487 -2 1 7 4 60.32 2.48 1.5343 2 4 2 4 60.33 3.23 1.5342 -2 4 3 4 61.56 3.11 1.5064 1 3 7 4 62.77 2.76 1.4803 2 4 3 4 62.78 1.92 1.4802 -2 2 7 4 62.78 2.98 1.4801 -2 4 4 4 63.08 1.79 1.4738 3 1 2 4 63.28 1.49 1.4695 3 2 0 4 64.28 2.20 1.4491 3 2 1 4 64.29 2.44 1.4489 -3 1 4 4 64.38 2.03 1.4472 -2 0 8 2 65.35 1.12 1.4279 2 1 7 4 65.66 1.28 1.4219 3 1 3 4 65.96 1.54 1.4162 -2 4 5 4 66.74 1.20 1.4015 1 1 9 4 66.94 1.66 1.3978 -2 5 1 4 67.70 1.77 1.3839 2 3 6 4 68.01 2.78 1.3784 -3 3 1 4 68.12 1.02 1.3765 1 6 1 4 68.58 1.48 1.3683 3 2 3 4 69.40 1.35 1.3543 0 3 9 4 69.47 1.16 1.3530 1 6 2 4 69.64 1.31 1.3501 1 2 9 4 69.66 1.71 1.3498 -1 5 6 4 70.13 1.08 1.3419 -3 2 5 4 70.41 2.42 1.3372 -1 1 10 4 71.54 1.26 1.3188 2 5 3 4 71.93 3.93 1.3126 1 5 6 4 72.44 1.36 1.3047 0 5 7 4 73.05 1.07 1.2952 -2 3 8 4 74.37 1.58 1.2755 1 6 4 4 75.98 1.13 1.2525 0 4 9 4 76.53 1.00 1.2448 0 3 10 4 80.33 1.08 1.1953 3 2 6 4 80.33 1.04 1.1952 3 3 5 4 80.80 1.28 1.1895 -1 2 11 4 82.37 1.10 1.1707 -4 0 2 2 82.89 1.16 1.1647 -3 2 8 4 83.07 1.45 1.1627 3 5 0 4 83.53 1.06 1.1574 1 7 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.