KCaAl2F9 Hemon A, Le Bail A, Courbion G European Journal of Solid State and Inorganic Chemistry 30 (1993) 415-426 Crystal structure approach of KCaAl2F9. A new hexagonaltungsten- bronze related structure _cod_database_code 1000103 _database_code_amcsd 0012572 CELL PARAMETERS: 12.3430 7.1520 22.6790 90.000 90.000 90.000 SPACE GROUP: C222_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2002.037 Density (g/cm3): 3.027 MAX. ABS. INTENSITY / VOLUME**2: 9.712455582 RIR: 1.045 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.31 8.56 6.1882 1 1 0 4 14.35 5.38 6.1715 2 0 0 2 16.32 1.44 5.4320 1 1 2 4 18.56 1.26 4.7807 2 0 3 4 23.54 54.65 3.7798 0 0 6 2 24.97 4.43 3.5663 3 1 0 4 27.65 47.76 3.2257 1 1 6 4 27.68 20.73 3.2233 2 0 6 4 28.86 100.00 3.0941 2 2 0 4 28.94 46.48 3.0858 4 0 0 2 29.13 4.84 3.0657 2 2 1 4 29.59 1.51 3.0188 3 1 4 4 34.53 13.60 2.5977 0 2 6 4 34.58 17.93 2.5940 3 1 6 4 35.11 1.06 2.5560 2 2 5 4 37.57 4.57 2.3942 2 2 6 4 38.58 3.02 2.3338 1 1 9 4 38.59 13.52 2.3329 2 0 9 4 39.30 7.05 2.2924 1 3 2 4 39.38 7.16 2.2882 4 2 2 4 39.42 9.34 2.2856 5 1 2 4 40.31 1.26 2.2376 2 2 7 4 40.34 3.23 2.2360 1 3 3 4 40.37 1.26 2.2344 4 0 7 4 40.41 12.91 2.2321 4 2 3 4 40.46 1.40 2.2297 5 1 3 4 41.75 11.30 2.1636 1 3 4 4 41.82 11.44 2.1600 4 2 4 4 41.86 9.51 2.1579 5 1 4 4 42.45 2.15 2.1294 1 1 10 4 44.65 2.23 2.0294 3 3 2 4 44.77 1.80 2.0241 6 0 2 4 45.58 3.28 1.9901 1 3 6 4 45.59 1.90 1.9900 3 3 3 4 45.65 4.46 1.9873 4 2 6 4 45.69 5.27 1.9856 5 1 6 4 45.71 7.07 1.9850 6 0 3 4 46.42 1.03 1.9560 1 1 11 4 47.95 1.88 1.8974 1 3 7 4 48.15 32.29 1.8899 0 0 12 2 48.48 2.26 1.8777 3 3 5 4 50.40 9.17 1.8107 3 3 6 4 50.51 3.71 1.8069 6 0 6 4 50.57 3.40 1.8050 1 3 8 4 50.63 3.66 1.8029 4 2 8 4 50.67 3.44 1.8016 5 1 8 4 51.08 18.90 1.7880 0 4 0 2 51.18 1.08 1.7849 3 1 11 4 51.23 30.87 1.7832 6 2 0 4 51.25 2.22 1.7825 0 4 1 4 51.40 2.21 1.7777 6 2 1 4 51.91 1.41 1.7615 6 2 2 4 53.90 1.40 1.7010 6 2 4 4 56.50 2.86 1.6288 1 3 10 4 56.56 2.80 1.6273 4 2 10 4 56.59 2.88 1.6263 5 1 10 4 56.98 2.51 1.6163 0 4 6 4 57.11 23.80 1.6128 2 2 12 4 57.11 7.68 1.6127 6 2 6 4 57.15 12.17 1.6117 4 0 12 4 59.08 3.74 1.5636 2 4 6 4 59.16 1.35 1.5617 5 3 6 4 59.25 2.06 1.5595 7 1 6 4 59.78 12.15 1.5471 4 4 0 4 59.93 1.82 1.5435 4 4 1 4 59.96 4.27 1.5429 8 0 0 2 60.97 2.18 1.5196 2 2 13 4 65.15 1.72 1.4318 4 4 6 4 65.32 1.77 1.4285 8 0 6 4 67.24 1.67 1.3924 8 2 3 4 70.85 1.48 1.3300 1 5 6 4 71.01 1.93 1.3274 7 3 6 4 71.06 1.35 1.3265 8 2 6 4 72.82 7.45 1.2988 0 4 12 4 72.94 12.13 1.2970 6 2 12 4 74.59 1.77 1.2722 3 5 6 4 74.68 2.90 1.2709 6 4 6 4 74.80 1.31 1.2693 4 2 15 4 74.83 2.38 1.2688 9 1 6 4 77.26 2.79 1.2349 8 2 9 4 77.28 1.86 1.2346 1 1 18 4 80.18 7.89 1.1971 4 4 12 4 80.33 2.81 1.1952 8 0 12 4 81.91 2.13 1.1762 5 5 6 4 82.40 2.50 1.1704 2 6 0 4 82.60 1.86 1.1681 8 4 0 4 82.71 1.40 1.1668 10 2 0 4 85.40 1.42 1.1368 0 6 6 4 87.50 1.59 1.1148 10 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.