Ca(Ti,Zr)OGeO4 Ellemann-Olesen R, Malcherek T American Mineralogist 90 (2005) 687-694 Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti90, titanite structure _database_code_amcsd 0003762 CELL PARAMETERS: 7.1546 8.9061 6.6590 90.000 113.701 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 388.523 Density (g/cm3): 4.179 MAX. ABS. INTENSITY / VOLUME**2: 24.03704135 RIR: 1.873 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.63 4.70 5.0312 0 1 1 4 18.33 24.61 4.8405 -1 1 1 4 19.94 1.39 4.4531 0 2 0 2 24.17 10.62 3.6828 1 2 0 4 25.65 18.16 3.4725 1 1 1 4 27.11 100.00 3.2888 -2 1 1 4 27.22 11.47 3.2756 2 0 0 2 29.29 87.41 3.0487 0 0 2 2 31.02 16.66 2.8833 -2 0 2 2 33.13 1.16 2.7040 1 3 0 4 33.58 82.30 2.6691 0 3 1 4 33.66 9.72 2.6625 -1 2 2 4 33.98 51.17 2.6386 2 2 0 4 35.69 4.62 2.5156 0 2 2 4 37.15 11.15 2.4202 -2 2 2 4 37.40 7.44 2.4045 2 1 1 4 38.60 13.46 2.3326 1 3 1 4 39.63 15.22 2.2744 -2 3 1 4 40.52 1.73 2.2265 0 4 0 2 43.11 16.62 2.0983 -2 1 3 4 45.05 5.48 2.0122 -3 2 2 4 45.79 2.42 1.9815 0 1 3 4 46.31 1.06 1.9607 3 2 0 4 47.58 7.00 1.9110 2 3 1 4 48.27 5.89 1.8855 2 0 2 2 48.45 1.43 1.8789 -3 1 3 4 49.50 7.07 1.8414 2 4 0 4 51.58 1.52 1.7720 -1 3 3 4 51.66 17.16 1.7695 -4 0 2 2 51.88 6.90 1.7623 -2 4 2 4 52.40 6.92 1.7461 -2 3 3 4 52.72 17.36 1.7362 2 2 2 4 52.73 1.38 1.7360 -4 1 1 4 53.29 1.25 1.7191 1 1 3 4 54.73 28.23 1.6771 0 3 3 4 56.16 7.10 1.6378 4 0 0 2 57.96 18.06 1.5911 -2 5 1 4 59.27 3.03 1.5590 3 4 0 4 59.40 9.23 1.5561 -2 2 4 4 60.76 7.09 1.5243 0 0 4 2 60.94 18.32 1.5203 -4 3 1 4 61.45 1.08 1.5089 1 3 3 4 62.58 3.88 1.4844 0 6 0 2 63.71 4.48 1.4608 2 1 3 4 64.23 9.17 1.4501 2 5 1 4 64.65 11.49 1.4416 -4 0 4 2 64.79 2.09 1.4389 2 4 2 4 65.08 7.46 1.4332 -4 3 3 4 68.26 9.60 1.3740 -2 5 3 4 69.34 1.29 1.3552 -1 6 2 4 70.27 1.31 1.3396 0 5 3 4 70.57 6.63 1.3346 0 6 2 4 70.77 1.95 1.3312 -2 4 4 4 71.54 1.16 1.3189 -1 4 4 4 71.69 1.10 1.3165 -2 1 5 4 72.88 8.78 1.2979 4 3 1 4 75.76 1.03 1.2555 -4 5 1 4 76.25 4.00 1.2486 4 0 2 2 76.88 1.26 1.2400 -3 6 2 4 79.26 1.47 1.2086 2 0 4 2 82.74 1.91 1.1664 2 2 4 4 84.13 1.73 1.1506 -6 -2 2 4 84.19 3.68 1.1500 -4 3 5 4 85.22 1.98 1.1387 2 5 3 4 85.36 3.12 1.1372 -4 6 2 4 85.69 1.06 1.1337 2 7 1 4 86.22 4.24 1.1280 0 3 5 4 89.00 2.41 1.0999 4 6 0 4 89.83 1.05 1.0919 6 0 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.