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 #032 at P = 4.45 GPa, T = 338 K _database_code_amcsd 0002555 CELL PARAMETERS: 6.9399 8.6524 6.4547 90.000 113.352 90.000 SPACE GROUP: A2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 355.836 Density (g/cm3): 3.659 MAX. ABS. INTENSITY / VOLUME**2: 13.90255421 RIR: 1.237 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.14 23.79 4.8892 0 1 1 4 26.36 2.44 3.3813 1 1 1 4 27.99 100.00 3.1883 -2 1 1 4 28.01 1.48 3.1857 2 0 0 2 30.16 84.35 2.9630 0 0 2 2 32.08 8.15 2.7902 -2 0 2 2 34.59 93.34 2.5933 0 3 1 4 34.74 1.06 2.5822 -1 2 2 4 34.98 48.02 2.5652 2 2 0 4 38.39 4.21 2.3448 -2 2 2 4 38.44 5.70 2.3417 2 1 1 4 39.73 31.20 2.2685 1 3 1 4 40.39 12.62 2.2330 -3 1 1 4 40.88 7.78 2.2074 -2 3 1 4 41.76 4.89 2.1631 0 4 0 2 43.52 9.87 2.0793 -1 1 3 4 43.79 7.96 2.0674 1 2 2 4 44.22 7.72 2.0483 1 4 0 4 44.59 23.16 2.0320 -2 1 3 4 47.20 8.64 1.9258 0 1 3 4 47.70 1.75 1.9065 3 2 0 4 48.99 1.29 1.8595 2 3 1 4 49.63 3.79 1.8367 2 0 2 2 50.61 1.46 1.8036 -3 3 1 4 51.04 7.45 1.7896 2 4 0 4 52.27 1.33 1.7500 3 1 1 4 52.37 3.84 1.7471 0 4 2 4 53.27 1.13 1.7197 -1 3 3 4 53.43 15.22 1.7148 -4 0 2 2 53.61 15.22 1.7095 -2 4 2 4 54.19 2.28 1.6926 -2 3 3 4 54.26 21.44 1.6907 2 2 2 4 54.44 5.12 1.6855 -4 1 1 4 55.30 1.77 1.6611 0 5 1 4 55.60 2.57 1.6528 -1 5 1 4 56.46 28.42 1.6297 0 3 3 4 57.89 6.53 1.5929 4 0 0 2 59.87 12.48 1.5450 -2 5 1 4 61.00 1.41 1.5190 3 3 1 4 61.48 8.91 1.5082 -2 2 4 4 62.09 1.27 1.4948 4 2 0 4 62.71 4.74 1.4815 0 0 4 2 62.96 17.81 1.4763 -4 3 1 4 63.36 2.31 1.4679 1 3 3 4 64.63 1.61 1.4421 0 6 0 2 65.63 5.19 1.4226 2 1 3 4 66.28 8.61 1.4101 2 5 1 4 66.48 1.26 1.4065 1 6 0 4 66.74 1.01 1.4016 0 2 4 4 66.82 1.11 1.4001 2 4 2 4 67.09 14.02 1.3951 -4 0 4 2 67.45 9.23 1.3885 -4 3 3 4 70.02 1.64 1.3438 -4 4 2 4 70.67 6.30 1.3330 -2 5 3 4 71.72 3.29 1.3160 -1 6 2 4 72.96 7.15 1.2967 0 6 2 4 73.33 1.60 1.2911 -2 4 4 4 75.23 9.61 1.2631 4 3 1 4 77.52 1.32 1.2313 -5 3 1 4 78.67 4.87 1.2163 4 0 2 2 78.77 1.99 1.2150 -5 3 3 4 79.67 1.95 1.2034 -3 6 2 4 80.51 1.88 1.1930 3 6 0 4 81.86 1.01 1.1768 2 0 4 2 83.01 1.73 1.1634 -3 3 5 4 85.52 2.05 1.1355 2 2 4 4 87.62 4.30 1.1136 -4 3 5 4 88.19 1.35 1.1079 2 5 3 4 88.61 1.80 1.1037 -4 -6 2 4 88.79 2.58 1.1020 2 7 1 4 89.37 5.42 1.0962 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.