Titanite Hollabaugh C L, Foit F F American Mineralogist 69 (1984) 725-732 The crystal structure of an Al-rich titanite from Grisons, Switzerland _database_code_amcsd 0000944 CELL PARAMETERS: 7.0500 8.6810 6.5390 90.000 113.900 90.000 SPACE GROUP: P2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 365.879 Density (g/cm3): 3.558 MAX. ABS. INTENSITY / VOLUME**2: 16.57641687 RIR: 1.517 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.02 22.61 4.9237 0 1 1 2 20.46 1.47 4.3405 0 2 0 1 27.56 100.00 3.2363 -2 1 1 2 27.68 3.29 3.2227 2 0 0 2 29.57 2.58 3.0213 2 1 0 2 29.89 72.65 2.9892 0 0 2 2 31.51 6.29 2.8388 -2 0 2 2 32.94 1.68 2.7188 -2 2 1 2 34.39 1.13 2.6081 -1 2 2 2 34.43 63.88 2.6046 0 3 1 2 34.67 44.79 2.5875 2 2 0 2 37.87 3.70 2.3758 -2 2 2 2 38.14 4.46 2.3597 2 1 1 2 39.54 18.22 2.2792 1 3 1 2 39.78 10.55 2.2657 -3 1 1 2 40.51 4.43 2.2270 -2 3 1 2 41.61 2.10 2.1702 0 4 0 1 41.96 1.32 2.1534 -3 1 2 2 43.01 10.09 2.1032 -1 1 3 2 43.51 4.78 2.0801 1 2 2 2 43.91 16.87 2.0620 -2 1 3 2 44.03 10.43 2.0568 1 4 0 2 45.87 2.30 1.9785 -3 2 2 2 46.77 6.89 1.9423 0 1 3 2 48.67 1.32 1.8707 2 3 1 2 49.27 3.34 1.8496 2 0 2 2 50.71 10.35 1.8001 2 4 0 2 51.79 1.33 1.7651 3 1 1 2 52.08 1.29 1.7562 0 4 2 2 52.47 11.79 1.7439 -4 0 2 2 52.49 1.09 1.7434 -4 0 1 2 52.76 1.09 1.7349 -1 3 3 2 53.12 13.52 1.7241 -2 4 2 2 53.54 2.84 1.7116 -2 3 3 2 53.62 3.51 1.7093 -4 1 1 2 53.88 18.52 1.7015 2 2 2 2 55.33 1.62 1.6603 -1 5 1 2 56.03 25.29 1.6412 0 3 3 2 57.17 4.05 1.6114 4 0 0 2 59.47 13.42 1.5543 -2 5 1 2 60.64 7.11 1.5271 -2 2 4 2 62.10 5.56 1.4946 0 0 4 2 62.16 16.96 1.4933 -4 3 1 2 62.93 1.17 1.4770 1 3 3 2 64.39 2.56 1.4468 0 6 0 1 65.13 5.05 1.4322 2 1 3 2 65.79 10.92 1.4194 -4 0 4 2 65.92 7.87 1.4170 2 5 1 2 66.37 6.78 1.4085 -4 3 3 2 66.41 2.64 1.4077 2 4 2 2 70.01 9.33 1.3439 -2 5 3 2 72.48 3.18 1.3040 -2 4 4 2 72.59 7.43 1.3023 0 6 2 2 73.24 1.22 1.2923 -2 1 5 2 74.51 8.04 1.2734 4 3 1 2 77.92 4.30 1.2260 4 0 2 2 78.95 1.15 1.2126 -3 6 2 2 81.17 1.10 1.1850 2 0 4 2 81.72 1.21 1.1784 -3 3 5 2 84.81 2.10 1.1431 2 2 4 2 86.06 3.06 1.1298 -4 3 5 2 87.60 1.60 1.1139 2 5 3 2 87.63 1.48 1.1135 -4 -6 2 2 88.31 3.54 1.1067 2 7 1 2 88.48 5.21 1.1050 0 3 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.