K3Ca2(SO4)3F Fayos J, Watkin D J, Perez-Mendez M American Mineralogist 72 (1987) 209-212 Crystal structure of the apatite-like compound K3Ca2(SO4)3F _database_code_amcsd 0001068 CELL PARAMETERS: 13.4150 10.4930 9.1270 90.000 90.000 90.000 SPACE GROUP: Pn2_1a X-RAY WAVELENGTH: 1.541838 Cell Volume: 1284.749 Density (g/cm3): 2.609 MAX. ABS. INTENSITY / VOLUME**2: 6.126936992 RIR: 0.765 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.73 23.12 7.5461 1 0 1 4 12.86 6.01 6.8864 0 1 1 2 13.20 24.41 6.7075 2 0 0 2 14.46 2.25 6.1264 1 1 1 4 15.68 1.62 5.6515 2 1 0 2 16.40 4.26 5.4049 2 0 1 4 16.90 2.01 5.2465 0 2 0 1 18.47 2.87 4.8049 2 1 1 4 19.45 3.73 4.5635 0 0 2 2 20.56 16.62 4.3204 1 0 2 4 20.62 15.30 4.3077 1 2 1 4 21.50 6.62 4.1325 2 2 0 2 22.14 43.93 4.0156 3 0 1 4 22.25 10.85 3.9950 1 1 2 4 23.58 4.25 3.7731 2 0 2 4 23.63 5.39 3.7646 2 2 1 4 23.72 3.53 3.7504 3 1 1 4 25.08 8.22 3.5505 2 1 2 4 25.88 1.69 3.4432 0 2 2 2 26.73 100.00 3.3351 1 2 2 4 27.31 32.66 3.2661 0 3 1 2 27.93 1.69 3.1945 4 1 0 2 27.93 36.12 3.1939 3 0 2 4 27.98 54.37 3.1888 3 2 1 4 28.12 38.57 3.1734 1 3 1 4 28.35 40.85 3.1480 4 0 1 4 29.15 79.97 3.0632 2 2 2 4 29.23 6.00 3.0555 3 1 2 4 29.63 7.16 3.0152 4 1 1 4 30.12 14.83 2.9670 1 0 3 4 30.44 7.56 2.9364 2 3 1 4 30.60 3.80 2.9220 0 1 3 2 31.33 1.09 2.8551 1 1 3 4 31.66 59.41 2.8257 4 2 0 2 32.31 9.68 2.7707 2 0 3 4 32.95 9.54 2.7185 1 3 2 4 33.45 15.56 2.6788 2 1 3 4 33.99 7.01 2.6375 3 3 1 4 34.18 16.30 2.6233 0 4 0 1 34.74 1.56 2.5826 1 2 3 4 34.98 4.22 2.5651 2 3 2 4 35.69 1.43 2.5154 3 0 3 4 36.68 12.41 2.4500 2 2 3 4 37.14 1.57 2.4207 4 3 0 2 37.43 4.12 2.4025 4 2 2 4 38.13 2.21 2.3600 2 4 1 4 38.16 1.26 2.3585 3 3 2 4 38.47 5.94 2.3398 4 3 1 4 38.97 1.44 2.3109 5 2 1 4 39.25 1.52 2.2955 0 3 3 2 39.63 2.61 2.2743 0 4 2 2 39.84 5.67 2.2626 1 3 3 4 40.08 6.15 2.2494 1 0 4 4 40.22 3.74 2.2423 1 4 2 4 40.97 3.43 2.2031 4 1 3 4 41.10 1.81 2.1962 3 4 1 4 41.59 1.17 2.1716 6 0 1 4 41.82 5.91 2.1602 2 0 4 4 41.95 3.24 2.1538 2 4 2 4 42.51 5.76 2.1266 6 1 1 4 42.72 1.38 2.1164 5 2 2 4 42.74 4.31 2.1158 2 1 4 4 43.66 3.32 2.0732 5 3 1 4 43.79 5.49 2.0674 1 2 4 4 43.81 6.18 2.0662 4 4 0 2 44.02 1.72 2.0568 6 2 0 2 44.29 5.89 2.0452 0 5 1 2 44.36 4.33 2.0421 3 3 3 4 44.58 5.69 2.0324 3 0 4 4 44.70 5.47 2.0272 3 4 2 4 44.83 4.41 2.0219 1 5 1 4 44.98 13.65 2.0153 4 4 1 4 45.05 2.77 2.0123 5 0 3 4 45.16 15.85 2.0078 6 0 2 4 45.19 8.10 2.0065 6 2 1 4 45.40 2.21 1.9975 2 2 4 4 45.92 2.76 1.9763 5 1 3 4 46.19 10.65 1.9653 1 4 3 4 47.11 1.39 1.9292 5 3 2 4 47.75 1.29 1.9049 2 4 3 4 48.00 1.74 1.8952 3 2 4 4 48.03 1.27 1.8943 4 3 3 4 48.09 1.45 1.8920 1 3 4 4 48.31 1.16 1.8838 6 3 0 2 48.45 16.23 1.8788 5 2 3 4 48.54 11.08 1.8755 7 0 1 4 49.36 2.26 1.8463 7 1 1 4 49.40 2.69 1.8449 6 3 1 4 49.71 6.34 1.8340 2 5 2 4 50.77 3.70 1.7984 0 1 5 2 51.36 5.09 1.7790 4 5 0 2 52.31 5.59 1.7488 0 6 0 1 52.40 2.66 1.7462 4 5 1 4 52.46 1.51 1.7442 5 3 3 4 52.66 1.93 1.7382 5 0 4 4 53.59 10.54 1.7100 1 2 5 4 53.68 4.03 1.7076 1 4 4 4 53.81 1.56 1.7037 1 6 1 4 54.28 1.63 1.6900 3 0 5 4 54.82 1.14 1.6745 7 2 2 4 54.88 5.61 1.6729 2 5 3 4 54.99 2.44 1.6698 2 2 5 4 55.71 11.67 1.6500 5 2 4 4 56.48 1.63 1.6293 8 1 1 4 56.58 1.72 1.6265 5 5 1 4 56.79 1.03 1.6211 1 6 2 4 57.16 1.14 1.6114 3 5 3 4 57.72 1.20 1.5973 8 2 0 2 57.74 2.93 1.5966 5 4 3 4 57.83 4.35 1.5944 6 4 2 4 58.14 1.12 1.5867 2 6 2 4 58.46 1.21 1.5788 6 1 4 4 58.65 1.38 1.5740 8 0 2 4 58.68 4.16 1.5734 8 2 1 4 59.62 1.81 1.5507 4 6 0 2 60.32 2.22 1.5345 1 5 4 4 60.37 1.10 1.5333 4 2 5 4 60.70 1.66 1.5257 7 4 1 4 60.88 3.11 1.5217 3 3 5 4 61.44 2.14 1.5091 6 5 1 4 62.82 1.67 1.4792 0 7 1 2 63.25 1.81 1.4703 1 7 1 4 63.48 1.19 1.4655 7 4 2 4 64.10 1.18 1.4527 6 3 4 4 64.11 2.64 1.4525 5 5 3 4 64.12 1.49 1.4524 1 2 6 4 65.37 1.37 1.4275 2 2 6 4 65.73 1.72 1.4207 3 4 5 4 66.07 1.08 1.4142 8 2 3 4 67.20 1.83 1.3931 2 7 2 4 67.44 1.14 1.3888 3 2 6 4 68.57 1.40 1.3685 4 7 0 2 69.24 2.14 1.3570 3 7 2 4 69.55 1.77 1.3517 7 5 2 4 71.47 1.60 1.3200 5 6 3 4 72.10 1.27 1.3100 8 5 0 2 72.76 1.82 1.2997 10 2 0 2 72.94 2.40 1.2970 9 2 3 4 76.03 1.18 1.2517 3 0 7 4 76.15 1.26 1.2501 9 3 3 4 76.31 1.27 1.2479 9 0 4 4 76.34 1.70 1.2474 1 7 4 4 76.96 1.41 1.2389 2 8 2 4 77.98 1.28 1.2253 5 5 5 4 79.88 1.15 1.2009 11 1 1 4 80.97 1.02 1.1874 3 5 6 4 81.76 1.05 1.1779 11 2 1 4 83.98 1.52 1.1523 6 7 3 4 86.24 1.05 1.1278 7 3 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.