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: Ti80, hi-T titanite structure _database_code_amcsd 0003763 CELL PARAMETERS: 7.1749 8.9332 6.6731 90.000 113.600 90.000 SPACE GROUP: A2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 391.940 Density (g/cm3): 4.217 MAX. ABS. INTENSITY / VOLUME**2: 25.36603096 RIR: 1.959 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.58 5.75 5.0460 0 1 1 4 18.29 21.74 4.8512 -1 1 1 4 24.09 12.02 3.6947 1 2 0 4 25.56 20.13 3.4853 1 1 1 4 27.04 100.00 3.2973 -2 1 1 4 27.13 9.19 3.2874 2 0 0 2 29.21 86.50 3.0575 0 0 2 2 30.96 14.57 2.8887 -2 0 2 2 33.47 88.39 2.6772 0 3 1 4 33.58 9.82 2.6688 -1 2 2 4 33.86 55.28 2.6476 2 2 0 4 35.58 3.06 2.5230 0 2 2 4 37.06 11.09 2.4256 -2 2 2 4 37.25 9.04 2.4138 2 1 1 4 38.46 14.58 2.3404 1 3 1 4 39.51 12.21 2.2809 -2 3 1 4 40.39 2.93 2.2333 0 4 0 2 43.02 18.21 2.1023 -2 1 3 4 44.94 5.44 2.0170 -3 2 2 4 45.65 2.81 1.9873 0 1 3 4 46.14 1.21 1.9675 3 2 0 4 47.40 6.63 1.9178 2 3 1 4 48.07 5.90 1.8926 2 0 2 2 48.35 1.98 1.8825 -3 1 3 4 49.13 1.22 1.8545 -1 4 2 4 49.33 9.24 1.8473 2 4 0 4 51.44 1.03 1.7765 -1 3 3 4 51.52 17.86 1.7739 -4 0 2 2 51.74 8.61 1.7668 -2 4 2 4 52.27 5.66 1.7501 -2 3 3 4 52.51 19.76 1.7427 2 2 2 4 52.55 1.82 1.7415 -4 1 1 4 53.09 1.54 1.7249 1 1 3 4 54.56 30.88 1.6820 0 3 3 4 55.94 7.82 1.6437 4 0 0 2 57.78 19.23 1.5957 -2 5 1 4 59.06 3.72 1.5642 3 4 0 4 59.26 10.49 1.5594 -2 2 4 4 60.57 7.10 1.5287 0 0 4 2 60.73 20.48 1.5250 -4 3 1 4 61.23 1.09 1.5139 1 3 3 4 62.37 4.13 1.4889 0 6 0 2 63.45 5.28 1.4661 2 1 3 4 63.99 9.63 1.4550 2 5 1 4 64.52 12.46 1.4443 -4 0 4 2 64.54 2.06 1.4439 2 4 2 4 64.91 8.89 1.4365 -4 3 3 4 64.93 1.01 1.4362 3 2 2 4 67.35 1.19 1.3903 -1 5 3 4 68.06 10.45 1.3775 -2 5 3 4 68.49 1.12 1.3700 -5 1 3 4 69.12 1.60 1.3591 -1 6 2 4 70.03 1.11 1.3436 0 5 3 4 70.33 7.77 1.3386 0 6 2 4 70.58 2.42 1.3344 -2 4 4 4 71.32 1.62 1.3224 -1 4 4 4 71.51 1.40 1.3194 -2 1 5 4 72.57 9.45 1.3026 4 3 1 4 75.91 4.43 1.2535 4 0 2 2 76.63 1.40 1.2434 -3 6 2 4 78.93 1.48 1.2129 2 0 4 2 79.70 1.14 1.2031 -3 3 5 4 82.39 2.46 1.1705 2 2 4 4 83.83 2.00 1.1540 -6 -2 2 4 83.99 4.46 1.1523 -4 3 5 4 84.86 2.44 1.1426 2 5 3 4 85.06 3.67 1.1404 -4 6 2 4 85.35 1.57 1.1373 2 7 1 4 85.91 5.04 1.1313 0 3 5 4 88.63 3.54 1.1035 4 6 0 4 89.42 1.09 1.0958 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.