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 #044 at P = 2.05 GPa, T = 354 K _database_code_amcsd 0002567 CELL PARAMETERS: 6.9984 8.6846 6.5063 90.000 113.521 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 362.586 Density (g/cm3): 3.590 MAX. ABS. INTENSITY / VOLUME**2: 14.79769723 RIR: 1.342 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.18 2.09 5.1609 1 1 0 4 18.04 25.18 4.9173 0 1 1 4 20.45 2.24 4.3423 0 2 0 2 25.91 1.93 3.4387 -1 2 1 4 26.21 1.18 3.4003 1 1 1 4 27.76 100.00 3.2141 -2 1 1 4 27.81 3.94 3.2085 2 0 0 2 29.96 81.67 2.9829 0 0 2 2 31.78 8.66 2.8157 -2 0 2 2 33.11 3.18 2.7059 -2 2 1 4 33.46 3.57 2.6784 -2 1 2 4 34.44 67.12 2.6044 0 3 1 4 34.51 2.05 2.5993 -1 2 2 4 34.77 50.73 2.5805 2 2 0 4 38.09 3.19 2.3625 -2 2 2 4 38.20 4.77 2.3557 2 1 1 4 39.55 17.43 2.2788 1 3 1 4 40.06 12.36 2.2509 -3 1 1 4 40.64 5.79 2.2202 -2 3 1 4 41.60 1.81 2.1711 0 4 0 2 43.19 9.91 2.0948 -1 1 3 4 43.54 5.71 2.0788 1 2 2 4 44.03 11.24 2.0566 1 4 0 4 44.10 2.06 2.0535 -3 2 1 4 44.20 16.20 2.0490 -2 1 3 4 46.19 1.02 1.9653 -3 2 2 4 46.87 6.45 1.9384 0 1 3 4 47.96 3.29 1.8968 -2 2 3 4 48.72 1.12 1.8690 2 3 1 4 49.32 2.85 1.8476 2 0 2 2 49.57 2.04 1.8390 -2 4 1 4 50.77 8.92 1.7981 2 4 0 4 51.92 1.11 1.7610 3 1 1 4 52.10 1.44 1.7554 0 4 2 4 52.85 2.86 1.7322 -4 0 1 2 52.91 1.64 1.7305 -1 3 3 4 52.93 7.90 1.7299 -4 0 2 2 53.28 9.92 1.7194 -2 4 2 4 53.79 3.59 1.7044 -2 3 3 4 53.93 20.36 1.7001 2 2 2 4 53.98 2.19 1.6988 -4 1 1 4 54.05 1.34 1.6966 -4 1 2 4 55.35 1.72 1.6598 -1 5 1 4 56.11 25.62 1.6391 0 3 3 4 57.26 1.04 1.6089 -4 2 1 4 57.44 2.90 1.6042 4 0 0 2 57.66 2.58 1.5987 -4 0 3 2 57.81 3.82 1.5948 -2 1 4 4 58.51 1.28 1.5775 4 1 0 4 59.56 12.12 1.5523 -2 5 1 4 60.79 1.05 1.5237 3 4 0 4 60.96 4.92 1.5198 -2 2 4 4 62.25 4.61 1.4914 0 0 4 2 62.48 14.44 1.4864 -4 3 1 4 62.55 3.72 1.4850 -4 3 2 4 62.87 1.68 1.4783 -2 5 2 4 62.98 1.23 1.4760 1 3 3 4 64.36 2.67 1.4474 0 6 0 2 65.20 5.05 1.4309 2 1 3 4 65.95 7.70 1.4165 2 5 1 4 66.40 7.89 1.4078 -4 0 4 2 66.44 2.64 1.4071 2 4 2 4 66.65 1.67 1.4032 4 3 0 4 66.85 4.36 1.3995 -4 3 3 4 67.39 1.28 1.3897 -4 1 4 4 70.20 7.31 1.3406 -2 5 3 4 71.35 1.27 1.3219 -1 6 2 4 72.60 6.48 1.3022 0 6 2 4 72.77 2.25 1.2996 -2 4 4 4 73.57 1.09 1.2874 -4 4 3 4 74.71 6.87 1.2706 4 3 1 4 75.02 2.24 1.2661 -4 3 4 4 76.45 1.07 1.2460 -2 2 5 4 78.10 3.67 1.2237 4 0 2 2 78.53 1.53 1.2180 -4 0 5 2 84.90 2.20 1.1422 2 2 4 4 86.73 1.38 1.1227 -4 3 5 4 87.64 1.67 1.1135 2 5 3 4 87.97 1.09 1.1101 -4 -6 2 4 88.32 2.53 1.1066 2 7 1 4 88.67 4.48 1.1031 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.