Titanite Troitzsch U, Ellis D J American Mineralogist 84 (1999) 1162-1169 The synthesis and crystal structure of CaAlFSiO4, the Al-F analog of titanite _database_code_amcsd 0002273 CELL PARAMETERS: 6.9149 8.5064 6.4384 90.000 114.684 90.000 SPACE GROUP: A2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 344.108 Density (g/cm3): 3.438 MAX. ABS. INTENSITY / VOLUME**2: 11.25477996 RIR: 1.066 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.41 4.88 4.8202 0 1 1 4 28.06 100.00 3.1795 -2 1 1 4 28.41 19.75 3.1415 2 0 0 2 30.56 80.42 2.9250 0 0 2 2 31.93 24.31 2.8026 -2 0 2 2 34.99 1.52 2.5646 -1 2 2 4 35.17 52.82 2.5516 0 3 1 4 35.53 30.13 2.5269 2 2 0 4 37.31 5.62 2.4101 0 2 2 4 40.51 28.89 2.2269 1 3 1 4 40.63 15.77 2.2203 -3 1 1 4 41.32 19.01 2.1849 -2 3 1 4 43.79 15.42 2.0674 -1 1 3 4 44.55 10.44 2.0337 -2 1 3 4 44.66 7.86 2.0289 1 2 2 4 45.00 16.75 2.0143 1 4 0 4 46.65 4.47 1.9470 -3 2 2 4 47.86 4.25 1.9007 0 1 3 4 49.99 6.09 1.8246 2 3 1 4 50.76 8.46 1.7987 2 0 2 2 51.92 8.09 1.7610 2 4 0 4 53.36 3.02 1.7170 3 1 1 4 53.46 16.62 1.7140 -4 0 2 2 53.81 3.54 1.7037 -1 3 3 4 54.14 10.33 1.6941 -2 4 2 4 54.47 10.39 1.6847 -2 3 3 4 54.89 1.91 1.6726 -4 1 1 4 55.47 14.60 1.6566 2 2 2 4 56.53 2.43 1.6279 -1 5 1 4 57.35 23.50 1.6067 0 3 3 4 58.79 3.42 1.5708 4 0 0 2 60.78 12.16 1.5239 -2 5 1 4 61.69 5.32 1.5036 -2 2 4 4 62.21 1.33 1.4922 3 4 0 4 62.26 2.02 1.4911 3 3 1 4 63.62 5.48 1.4625 0 0 4 2 63.66 17.77 1.4617 -4 3 1 4 64.63 2.27 1.4421 1 3 3 4 65.88 1.83 1.4177 0 6 0 2 66.75 12.75 1.4013 -4 0 4 2 67.14 2.92 1.3942 2 1 3 4 67.55 5.90 1.3868 -4 3 3 4 67.66 6.78 1.3848 2 5 1 4 68.30 1.86 1.3733 2 4 2 4 71.44 9.24 1.3205 -2 5 3 4 72.93 1.69 1.2972 -1 6 2 4 73.91 2.15 1.2823 -2 4 4 4 73.93 1.56 1.2820 0 5 3 4 74.35 5.95 1.2758 0 6 2 4 76.84 8.30 1.2405 4 3 1 4 78.48 1.78 1.2187 -5 3 1 4 79.58 1.66 1.2046 -4 5 1 4 80.60 3.84 1.1919 4 0 2 2 80.75 2.26 1.1901 -3 6 2 4 82.33 1.15 1.1712 -2 3 5 4 83.22 2.10 1.1609 -3 3 5 4 83.81 2.49 1.1542 2 0 4 2 87.58 2.63 1.1141 -4 3 5 4 87.59 1.28 1.1139 2 2 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.