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: Ti10, triclinically distorted titanite structure _database_code_amcsd 0003766 CELL PARAMETERS: 7.3842 9.1241 6.7603 88.765 112.877 91.297 SPACE GROUP: A-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 419.499 Density (g/cm3): 4.415 MAX. ABS. INTENSITY / VOLUME**2: 28.79716895 RIR: 2.124 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.13 16.37 5.1768 0 1 1 2 17.35 14.08 5.1105 0 -1 1 2 17.76 7.19 4.9945 -1 1 1 2 18.19 12.78 4.8760 -1 -1 1 2 19.46 3.33 4.5605 0 2 0 2 23.31 6.00 3.8154 -1 2 0 2 23.66 4.30 3.7612 1 2 0 2 24.82 8.68 3.5866 1 -1 1 2 24.83 8.27 3.5861 1 1 1 2 26.14 59.72 3.4084 -2 1 1 2 26.20 2.40 3.4013 2 0 0 2 26.60 75.08 3.3510 -2 -1 1 2 28.67 100.00 3.1140 0 0 2 2 30.47 3.56 2.9334 -2 0 2 2 32.59 49.50 2.7472 0 3 1 2 32.60 43.10 2.7469 -2 2 0 2 32.68 5.50 2.7400 -1 2 2 2 32.96 45.52 2.7173 0 -3 1 2 33.10 30.64 2.7065 2 2 0 2 33.42 4.70 2.6813 -1 -2 2 2 35.96 12.28 2.4973 -2 2 2 2 35.97 6.96 2.4968 2 -1 1 2 36.09 12.18 2.4889 2 1 1 2 36.87 9.21 2.4380 -2 -2 2 2 37.50 4.72 2.3981 1 -3 1 2 37.51 6.20 2.3977 1 3 1 2 39.08 1.38 2.3052 -2 -3 1 2 39.52 3.52 2.2802 0 4 0 2 42.19 11.54 2.1417 -2 1 3 2 42.69 16.73 2.1180 -2 -1 3 2 43.47 3.67 2.0819 -3 2 2 2 44.34 1.23 2.0430 -3 2 0 2 44.44 2.51 2.0386 -3 -2 2 2 44.63 3.67 2.0303 0 1 3 2 44.91 3.40 2.0182 0 -1 3 2 46.57 1.51 1.9502 2 0 2 2 47.67 6.99 1.9077 -2 4 0 2 47.83 1.55 1.9019 -3 -1 3 2 48.09 1.06 1.8919 -3 -3 1 2 48.40 9.08 1.8806 2 4 0 2 49.20 1.20 1.8520 0 4 2 2 49.90 1.05 1.8277 0 -4 2 2 50.01 6.38 1.8238 -2 4 2 2 50.15 18.28 1.8191 -4 0 2 2 50.64 3.94 1.8027 -4 1 1 2 50.92 15.95 1.7933 2 -2 2 2 50.93 11.46 1.7930 2 2 2 2 51.40 8.34 1.7777 -2 -4 2 2 53.07 17.25 1.7256 0 3 3 2 53.82 16.25 1.7035 0 -3 3 2 53.91 8.63 1.7006 4 0 0 2 55.82 12.44 1.6470 -2 5 1 2 56.82 1.40 1.6204 -3 4 0 2 57.03 9.72 1.6148 -2 -5 1 2 57.78 2.16 1.5956 3 4 0 2 57.92 7.02 1.5923 -2 2 4 2 58.28 12.47 1.5833 -4 3 1 2 58.86 5.25 1.5690 -2 -2 4 2 59.36 7.42 1.5570 0 0 4 2 59.46 10.15 1.5545 -4 -3 1 2 60.95 5.85 1.5202 0 6 0 2 61.51 4.16 1.5075 2 1 3 2 61.59 2.95 1.5059 2 -1 3 2 62.04 6.21 1.4959 2 -5 1 2 62.43 5.82 1.4875 2 5 1 2 62.68 2.39 1.4822 2 -4 2 2 62.69 3.05 1.4819 2 4 2 2 62.71 5.10 1.4816 -4 3 3 2 63.42 12.15 1.4667 -4 0 4 2 64.29 4.94 1.4490 -4 -3 3 2 65.82 7.31 1.4190 -2 5 3 2 67.64 5.04 1.3851 -2 -5 3 2 68.28 5.23 1.3736 0 6 2 2 68.49 2.21 1.3700 -2 4 4 2 69.14 4.33 1.3587 0 -6 2 2 69.64 5.61 1.3502 4 -3 1 2 70.19 1.08 1.3409 -2 1 5 2 70.20 2.27 1.3407 -2 -4 4 2 70.29 5.87 1.3392 4 3 1 2 70.67 1.02 1.3329 -1 -4 4 2 70.69 1.41 1.3327 -2 -1 5 2 73.02 5.48 1.2958 4 0 2 2 79.77 1.50 1.2023 2 2 4 2 80.03 1.81 1.1990 2 -2 4 2 80.08 1.22 1.1983 -6 -1 3 2 80.41 3.63 1.1942 -6 2 2 2 80.97 1.51 1.1874 -6 -1 1 2 81.51 1.64 1.1809 -6 -2 2 2 81.51 2.18 1.1809 -4 6 2 2 81.60 2.45 1.1798 -4 3 5 2 82.17 1.45 1.1731 2 5 3 2 82.49 2.03 1.1693 2 -5 3 2 82.70 1.30 1.1670 2 -7 1 2 83.19 1.67 1.1613 2 7 1 2 83.43 1.94 1.1586 -4 -3 5 2 83.46 3.13 1.1582 0 3 5 2 83.96 2.27 1.1526 -4 -6 2 2 84.46 2.87 1.1471 0 -3 5 2 84.90 2.03 1.1422 -4 6 0 2 86.40 1.65 1.1261 -6 2 4 2 86.54 2.00 1.1248 4 6 0 2 88.55 1.48 1.1043 -6 2 0 2 89.29 1.95 1.0970 -2 5 5 2 89.47 1.84 1.0953 0 6 4 2 89.51 1.03 1.0949 2 4 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.