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 #045 at P = 1.88 GPa, T = 301 K _database_code_amcsd 0002568 CELL PARAMETERS: 7.0014 8.6869 6.5081 90.000 113.533 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 362.905 Density (g/cm3): 3.587 MAX. ABS. INTENSITY / VOLUME**2: 14.97491736 RIR: 1.359 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.85 1.03 5.9668 0 0 1 2 17.18 1.60 5.1626 1 1 0 4 18.04 25.57 4.9183 0 1 1 4 20.45 2.49 4.3435 0 2 0 2 25.90 1.85 3.4398 -1 2 1 4 26.20 1.13 3.4009 1 1 1 4 27.74 100.00 3.2155 -2 1 1 4 27.80 4.20 3.2095 2 0 0 2 29.95 80.52 2.9834 0 0 2 2 31.77 8.57 2.8168 -2 0 2 2 33.09 3.28 2.7069 -2 2 1 4 33.44 3.60 2.6795 -2 1 2 4 34.43 64.54 2.6051 0 3 1 4 34.50 1.99 2.6000 -1 2 2 4 34.75 50.22 2.5813 2 2 0 4 38.08 3.53 2.3634 -2 2 2 4 38.19 4.42 2.3563 2 1 1 4 39.54 17.15 2.2794 1 3 1 4 40.04 12.36 2.2518 -3 1 1 4 40.62 5.42 2.2210 -2 3 1 4 41.58 1.49 2.1717 0 4 0 2 43.17 9.19 2.0954 -1 1 3 4 43.53 5.76 2.0792 1 2 2 4 44.02 11.03 2.0572 1 4 0 4 44.08 1.60 2.0543 -3 2 1 4 44.19 16.55 2.0497 -2 1 3 4 46.17 1.27 1.9661 -3 2 2 4 46.86 6.27 1.9388 0 1 3 4 47.95 3.26 1.8974 -2 2 3 4 49.31 2.74 1.8480 2 0 2 2 49.55 1.93 1.8396 -2 4 1 4 50.76 9.29 1.7987 2 4 0 4 51.91 1.10 1.7614 3 1 1 4 52.09 1.38 1.7558 0 4 2 4 52.83 2.82 1.7329 -4 0 1 2 52.90 1.84 1.7309 -1 3 3 4 52.90 7.89 1.7307 -4 0 2 2 53.26 9.76 1.7199 -2 4 2 4 53.77 3.56 1.7049 -2 3 3 4 53.92 19.63 1.7005 2 2 2 4 53.95 2.15 1.6994 -4 1 1 4 54.03 1.19 1.6973 -4 1 2 4 55.34 1.96 1.6602 -1 5 1 4 56.10 25.25 1.6394 0 3 3 4 57.42 2.83 1.6048 4 0 0 2 57.63 2.38 1.5994 -4 0 3 2 57.80 3.90 1.5953 -2 1 4 4 58.49 1.33 1.5781 4 1 0 4 59.54 12.07 1.5528 -2 5 1 4 60.94 5.04 1.5202 -2 2 4 4 62.24 4.58 1.4917 0 0 4 2 62.46 14.61 1.4870 -4 3 1 4 62.52 3.50 1.4856 -4 3 2 4 62.84 1.62 1.4787 -2 5 2 4 62.96 1.33 1.4762 1 3 3 4 64.34 2.78 1.4478 0 6 0 2 65.18 4.85 1.4312 2 1 3 4 65.93 7.58 1.4168 2 5 1 4 66.37 7.96 1.4084 -4 0 4 2 66.43 2.84 1.4074 2 4 2 4 66.63 1.49 1.4036 4 3 0 4 66.82 4.45 1.4000 -4 3 3 4 67.35 1.14 1.3903 -4 1 4 4 70.18 7.43 1.3410 -2 5 3 4 71.33 1.22 1.3222 -1 6 2 4 72.58 6.36 1.3025 0 6 2 4 72.74 2.33 1.3000 -2 4 4 4 73.54 1.10 1.2879 -4 4 3 4 74.68 6.62 1.2710 4 3 1 4 74.99 2.23 1.2665 -4 3 4 4 76.42 1.01 1.2463 -2 2 5 4 78.07 3.59 1.2240 4 0 2 2 78.50 1.49 1.2185 -4 0 5 2 84.88 2.11 1.1424 2 2 4 4 86.69 1.42 1.1231 -4 3 5 4 87.61 1.66 1.1137 2 5 3 4 87.93 1.03 1.1105 -4 -6 2 4 88.29 2.54 1.1069 2 7 1 4 88.65 4.41 1.1033 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.