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: Ti50, hi-T titanite structure _database_code_amcsd 0003764 CELL PARAMETERS: 7.2582 9.0179 6.7220 90.000 113.351 90.000 SPACE GROUP: A2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 403.944 Density (g/cm3): 4.305 MAX. ABS. INTENSITY / VOLUME**2: 30.00897321 RIR: 2.270 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.41 11.11 5.0930 0 1 1 4 18.14 17.09 4.8914 -1 1 1 4 23.83 11.17 3.7344 1 2 0 4 25.24 16.60 3.5279 1 1 1 4 26.76 3.77 3.3319 2 0 0 2 26.76 96.23 3.3319 -2 1 1 4 28.94 86.77 3.0857 0 0 2 2 30.71 8.31 2.9111 -2 0 2 2 33.15 88.99 2.7024 0 3 1 4 33.31 8.01 2.6902 -1 2 2 4 33.44 57.73 2.6796 2 2 0 4 36.75 12.63 2.4457 2 1 1 4 36.75 13.25 2.4457 -2 2 2 4 38.04 12.54 2.3654 1 3 1 4 39.10 5.52 2.3036 -2 3 1 4 39.99 4.57 2.2545 0 4 0 2 42.70 21.87 2.1175 -2 1 3 4 44.50 3.70 2.0360 -3 2 2 4 45.21 4.46 2.0056 0 1 3 4 46.82 3.74 1.9405 2 3 1 4 47.43 3.22 1.9167 2 0 2 2 47.95 1.49 1.8973 -3 1 3 4 48.77 11.89 1.8672 2 4 0 4 50.11 1.58 1.8204 0 4 2 4 50.94 16.68 1.7928 -4 0 2 2 51.25 11.05 1.7825 -2 4 2 4 51.83 21.13 1.7639 2 2 2 4 51.83 2.32 1.7639 -2 3 3 4 51.86 2.77 1.7629 -4 1 1 4 52.48 1.24 1.7436 1 1 3 4 54.01 29.75 1.6977 0 3 3 4 55.13 8.69 1.6659 4 0 0 2 57.17 19.10 1.6112 -2 5 1 4 58.32 2.65 1.5823 3 4 0 4 58.77 10.44 1.5711 -2 2 4 4 59.96 6.97 1.5429 0 0 4 2 59.96 20.29 1.5428 -4 3 1 4 60.52 1.16 1.5298 1 3 3 4 61.72 4.08 1.5030 0 6 0 2 62.62 6.11 1.4836 2 1 3 4 63.22 10.46 1.4707 2 5 1 4 63.73 2.78 1.4603 2 4 2 4 63.96 12.18 1.4556 -4 0 4 2 64.26 10.21 1.4495 -4 3 3 4 66.69 1.01 1.4025 -1 5 3 4 67.41 10.44 1.3892 -2 5 3 4 68.41 1.24 1.3714 -1 6 2 4 69.58 7.82 1.3512 0 6 2 4 69.94 3.26 1.3451 -2 4 4 4 70.63 1.24 1.3336 -1 4 4 4 70.90 1.88 1.3292 -2 1 5 4 71.50 9.38 1.3195 4 3 1 4 74.72 4.58 1.2705 4 0 2 2 81.18 1.24 1.1848 -6 1 3 4 81.27 2.98 1.1838 2 2 4 4 82.65 2.21 1.1675 -6 1 1 4 82.65 2.12 1.1675 -6 -2 2 4 83.21 4.69 1.1610 -4 3 5 4 83.73 3.18 1.1551 2 5 3 4 84.03 4.07 1.1518 -4 6 2 4 84.28 1.87 1.1490 2 7 1 4 84.94 5.21 1.1418 0 3 5 4 87.39 4.22 1.1159 4 6 0 4 88.37 1.15 1.1061 -6 -2 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.