Titanite Kunz M, Arlt T, Stolz J American Mineralogist 85 (2000) 1465-1473 In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #031 at P = 4.61 GPa, T = 396 K _database_code_amcsd 0002554 CELL PARAMETERS: 6.9385 8.6498 6.4533 90.000 113.348 90.000 SPACE GROUP: A2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 355.591 Density (g/cm3): 3.661 MAX. ABS. INTENSITY / VOLUME**2: 14.71608439 RIR: 1.309 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.15 23.53 4.8881 0 1 1 4 20.54 1.38 4.3249 0 2 0 2 26.36 2.50 3.3807 1 1 1 4 27.99 100.00 3.1876 -2 1 1 4 28.01 1.90 3.1852 2 0 0 2 30.17 75.74 2.9624 0 0 2 2 32.09 7.64 2.7895 -2 0 2 2 34.60 90.93 2.5926 0 3 1 4 34.99 44.36 2.5647 2 2 0 4 38.40 3.63 2.3442 -2 2 2 4 38.45 5.39 2.3413 2 1 1 4 39.74 28.70 2.2679 1 3 1 4 40.40 11.30 2.2326 -3 1 1 4 40.89 7.94 2.2068 -2 3 1 4 41.77 4.43 2.1625 0 4 0 2 43.53 9.62 2.0789 -1 1 3 4 43.80 7.60 2.0670 1 2 2 4 44.23 7.07 2.0477 1 4 0 4 44.60 20.38 2.0315 -2 1 3 4 47.21 7.81 1.9254 0 1 3 4 47.71 1.73 1.9061 3 2 0 4 49.00 1.28 1.8591 2 3 1 4 49.64 3.75 1.8364 2 0 2 2 50.62 1.04 1.8032 -3 3 1 4 51.05 7.05 1.7891 2 4 0 4 52.28 1.05 1.7497 3 1 1 4 52.38 3.49 1.7466 0 4 2 4 53.28 1.23 1.7193 -1 3 3 4 53.44 14.96 1.7144 -4 0 2 2 53.63 14.40 1.7091 -2 4 2 4 54.20 2.41 1.6922 -2 3 3 4 54.27 19.74 1.6904 2 2 2 4 54.45 4.72 1.6852 -4 1 1 4 55.32 2.01 1.6606 0 5 1 4 55.62 2.30 1.6523 -1 5 1 4 56.48 27.85 1.6294 0 3 3 4 57.90 5.83 1.5926 4 0 0 2 59.89 10.72 1.5445 -2 5 1 4 61.01 1.43 1.5187 3 3 1 4 61.17 1.05 1.5151 3 4 0 4 61.50 8.72 1.5079 -2 2 4 4 62.11 1.26 1.4945 4 2 0 4 62.73 4.77 1.4812 0 0 4 2 62.98 17.48 1.4760 -4 3 1 4 63.38 1.77 1.4676 1 3 3 4 64.65 1.81 1.4416 0 6 0 2 65.64 5.11 1.4223 2 1 3 4 66.30 7.38 1.4097 2 5 1 4 66.50 1.20 1.4061 1 6 0 4 66.75 1.15 1.4013 0 2 4 4 66.84 1.12 1.3998 2 4 2 4 67.11 13.17 1.3948 -4 0 4 2 67.47 8.86 1.3882 -4 3 3 4 70.04 1.37 1.3434 -4 4 2 4 70.69 5.82 1.3326 -2 5 3 4 71.74 3.18 1.3156 -1 6 2 4 72.98 7.53 1.2963 0 6 2 4 73.35 1.46 1.2908 -2 4 4 4 75.25 9.29 1.2628 4 3 1 4 77.54 1.26 1.2311 -5 3 1 4 78.68 4.77 1.2161 4 0 2 2 78.79 1.59 1.2147 -5 3 3 4 79.70 1.94 1.2031 -3 6 2 4 80.53 1.79 1.1927 3 6 0 4 83.03 1.76 1.1631 -3 3 5 4 85.54 1.76 1.1353 2 2 4 4 87.64 4.21 1.1134 -4 3 5 4 88.21 1.14 1.1076 2 5 3 4 88.64 1.77 1.1034 -4 -6 2 4 88.82 2.55 1.1017 2 7 1 4 89.40 5.18 1.0960 0 3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.