Jakobssonite Hemon A, Courbion G Acta Crystallographica C47 (1991) 1302-1303 Refinement of the room-temperature structure of alpha-CaAlF5 _cod_database_code 1000300 _database_code_amcsd 0010259 CELL PARAMETERS: 8.7120 6.3170 7.3490 90.000 115.040 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 366.430 Density (g/cm3): 2.937 MAX. ABS. INTENSITY / VOLUME**2: 14.90199594 RIR: 1.652 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.36 4.87 4.5854 -1 1 1 4 22.53 100.00 3.9466 2 0 0 2 25.15 2.03 3.5405 1 1 1 4 28.09 85.22 3.1762 -1 1 2 4 28.25 41.50 3.1585 0 2 0 2 31.35 1.22 2.8537 0 2 1 4 37.01 3.06 2.4288 3 1 0 4 39.30 10.69 2.2927 -2 2 2 4 39.32 12.65 2.2913 0 2 2 4 39.89 7.74 2.2599 -1 1 3 4 42.21 1.02 2.1409 -4 0 2 2 43.15 5.24 2.0963 -3 1 3 4 44.42 1.82 2.0396 3 1 1 4 44.53 3.94 2.0345 1 3 0 4 45.16 11.66 2.0079 -1 3 1 4 45.99 33.23 1.9733 4 0 0 2 47.30 1.39 1.9216 -2 2 3 4 48.17 3.82 1.8890 1 3 1 4 49.28 2.18 1.8492 1 1 3 4 49.62 24.87 1.8372 -2 0 4 2 49.92 22.82 1.8270 -1 3 2 4 51.57 8.72 1.7721 -4 2 2 4 51.63 9.67 1.7703 2 2 2 4 53.78 4.78 1.7044 -3 3 1 4 54.73 8.19 1.6772 -5 1 2 4 54.80 8.10 1.6751 3 1 2 4 54.86 8.17 1.6735 4 2 0 4 55.10 4.73 1.6666 -4 0 4 2 55.18 5.42 1.6646 0 0 4 2 55.40 2.20 1.6584 -3 3 2 4 55.44 2.39 1.6574 1 3 2 4 57.38 2.90 1.6060 -5 1 3 4 58.06 1.84 1.5885 -1 3 3 4 58.08 10.05 1.5881 -2 2 4 4 58.44 6.83 1.5792 0 4 0 2 60.22 1.25 1.5366 0 4 1 4 61.58 3.07 1.5061 3 3 1 4 63.44 2.07 1.4662 2 4 0 4 69.90 5.07 1.3458 -6 0 4 2 70.03 6.37 1.3436 2 0 4 2 70.17 4.90 1.3411 -5 3 2 4 70.24 5.50 1.3401 3 3 2 4 71.10 2.00 1.3259 -5 3 1 4 71.75 3.18 1.3155 6 0 0 2 74.46 1.03 1.2742 -4 4 1 4 75.23 1.10 1.2631 5 3 0 4 76.79 1.83 1.2413 -1 5 1 4 77.02 3.39 1.2381 -6 2 4 4 77.15 2.68 1.2364 2 2 4 4 77.40 3.88 1.2330 4 4 0 4 79.75 2.87 1.2024 -3 1 6 4 79.80 2.07 1.2019 -3 3 5 4 80.14 3.50 1.1976 -2 4 4 4 82.05 1.17 1.1745 -1 3 5 4 86.37 1.32 1.1265 -5 3 5 4 87.00 1.73 1.1200 -1 5 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.