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 #021 at P = 4.26 GPa, T = 568 K _database_code_amcsd 0002544 CELL PARAMETERS: 6.9529 8.6610 6.4677 90.000 113.347 90.000 SPACE GROUP: A2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 357.589 Density (g/cm3): 3.641 MAX. ABS. INTENSITY / VOLUME**2: 14.11571825 RIR: 1.262 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.11 25.08 4.8976 0 1 1 4 20.51 1.08 4.3305 0 2 0 2 26.31 1.77 3.3876 1 1 1 4 27.94 100.00 3.1939 -2 1 1 4 27.95 1.04 3.1918 2 0 0 2 30.10 90.44 2.9691 0 0 2 2 32.02 7.90 2.7955 -2 0 2 2 34.55 79.93 2.5964 0 3 1 4 34.68 1.71 2.5864 -1 2 2 4 34.92 49.95 2.5693 2 2 0 4 38.32 4.48 2.3487 -2 2 2 4 38.37 5.31 2.3462 2 1 1 4 39.68 25.72 2.2716 1 3 1 4 40.32 12.52 2.2371 -3 1 1 4 40.82 6.95 2.2104 -2 3 1 4 41.71 5.24 2.1653 0 4 0 2 43.43 9.68 2.0834 -1 1 3 4 43.71 6.99 2.0711 1 2 2 4 44.17 9.46 2.0505 1 4 0 4 44.50 23.77 2.0359 -2 1 3 4 47.10 9.07 1.9296 0 1 3 4 48.91 1.79 1.8624 2 3 1 4 49.53 3.27 1.8404 2 0 2 2 50.53 1.22 1.8064 -3 3 1 4 50.97 8.59 1.7919 2 4 0 4 52.17 2.02 1.7534 3 1 1 4 52.29 3.45 1.7495 0 4 2 4 53.32 15.04 1.7180 -4 0 2 2 53.53 12.57 1.7118 -2 4 2 4 54.09 2.18 1.6954 -2 3 3 4 54.15 21.67 1.6938 2 2 2 4 54.33 5.27 1.6887 -4 1 1 4 55.54 2.68 1.6546 -1 5 1 4 56.36 28.36 1.6325 0 3 3 4 57.77 6.61 1.5959 4 0 0 2 59.79 15.98 1.5468 -2 5 1 4 61.06 1.05 1.5177 3 4 0 4 61.35 8.44 1.5111 -2 2 4 4 62.57 4.74 1.4845 0 0 4 2 62.85 18.09 1.4787 -4 3 1 4 63.24 2.47 1.4705 1 3 3 4 64.56 1.94 1.4435 0 6 0 2 65.48 4.80 1.4254 2 1 3 4 66.19 9.62 1.4119 2 5 1 4 66.70 1.50 1.4023 2 4 2 4 66.95 13.90 1.3978 -4 0 4 2 67.32 8.34 1.3908 -4 3 3 4 69.89 1.34 1.3458 -4 4 2 4 70.55 8.26 1.3349 -2 5 3 4 71.62 2.60 1.3175 -1 6 2 4 72.86 6.52 1.2982 0 6 2 4 73.19 2.02 1.2932 -2 4 4 4 75.07 9.34 1.2653 4 3 1 4 77.37 1.21 1.2335 -5 3 1 4 78.48 4.43 1.2187 4 0 2 2 78.60 1.68 1.2171 -5 3 3 4 79.55 1.60 1.2049 -3 6 2 4 80.38 1.12 1.1946 3 6 0 4 81.65 1.22 1.1792 2 0 4 2 82.82 1.41 1.1655 -3 3 5 4 85.31 2.39 1.1378 2 2 4 4 87.42 3.77 1.1157 -4 3 5 4 88.01 1.71 1.1097 2 5 3 4 88.46 1.73 1.1052 -4 -6 2 4 88.66 2.37 1.1033 2 7 1 4 89.16 5.38 1.0983 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.