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: Ti95, titanite structure _database_code_amcsd 0003761 CELL PARAMETERS: 7.1500 8.8994 6.6548 90.000 113.730 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 387.649 Density (g/cm3): 4.156 MAX. ABS. INTENSITY / VOLUME**2: 22.86953364 RIR: 1.792 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.64 3.68 5.0271 0 1 1 4 18.34 23.84 4.8378 -1 1 1 4 19.95 1.60 4.4497 0 2 0 2 24.19 11.14 3.6799 1 2 0 4 25.68 20.91 3.4691 1 1 1 4 27.13 100.00 3.2868 -2 1 1 4 27.25 11.75 3.2727 2 0 0 2 29.32 86.21 3.0461 0 0 2 2 31.03 17.86 2.8819 -2 0 2 2 33.16 1.21 2.7019 1 3 0 4 33.60 88.69 2.6671 0 3 1 4 33.68 10.69 2.6607 -1 2 2 4 34.00 56.77 2.6364 2 2 0 4 35.72 4.56 2.5135 0 2 2 4 37.17 11.63 2.4189 -2 2 2 4 37.44 7.75 2.4021 2 1 1 4 38.63 15.12 2.3306 1 3 1 4 39.65 16.75 2.2729 -2 3 1 4 40.55 1.80 2.2249 0 4 0 2 43.14 18.18 2.0971 -2 1 3 4 45.08 5.26 2.0111 -3 2 2 4 45.83 1.92 1.9798 0 1 3 4 46.35 1.19 1.9590 3 2 0 4 47.63 7.59 1.9093 2 3 1 4 48.32 7.43 1.8835 2 0 2 2 48.47 2.26 1.8780 -3 1 3 4 49.31 1.34 1.8482 -1 4 2 4 49.54 7.59 1.8399 2 4 0 4 51.62 1.25 1.7708 -1 3 3 4 51.69 17.42 1.7684 -4 0 2 2 51.92 6.91 1.7611 -2 4 2 4 52.43 6.88 1.7450 -2 3 3 4 52.77 1.47 1.7348 -4 1 1 4 52.78 18.72 1.7345 2 2 2 4 53.34 1.29 1.7175 1 1 3 4 54.78 30.93 1.6757 0 3 3 4 55.35 1.10 1.6598 -2 0 4 2 56.21 7.90 1.6364 4 0 0 2 58.01 18.23 1.5899 -2 5 1 4 59.32 3.54 1.5578 3 4 0 4 59.44 10.82 1.5551 -2 2 4 4 60.82 6.97 1.5230 0 0 4 2 60.99 19.72 1.5192 -4 3 1 4 62.63 4.00 1.4832 0 6 0 2 63.78 5.05 1.4593 2 1 3 4 64.29 9.45 1.4489 2 5 1 4 64.69 11.83 1.4410 -4 0 4 2 64.86 1.88 1.4376 2 4 2 4 65.12 8.24 1.4324 -4 3 3 4 68.31 9.46 1.3731 -2 5 3 4 69.40 1.44 1.3542 -1 6 2 4 70.33 1.56 1.3385 0 5 3 4 70.63 7.29 1.3335 0 6 2 4 70.83 1.93 1.3304 -2 4 4 4 71.60 1.40 1.3179 -1 4 4 4 71.74 1.41 1.3156 -2 1 5 4 72.96 9.10 1.2967 4 3 1 4 76.35 4.28 1.2474 4 0 2 2 76.95 1.24 1.2391 -3 6 2 4 79.36 1.40 1.2074 2 0 4 2 82.84 2.34 1.1653 2 2 4 4 84.20 1.81 1.1498 -6 -2 2 4 84.25 4.15 1.1493 -4 3 5 4 85.32 2.27 1.1377 2 5 3 4 85.43 3.49 1.1364 -4 6 2 4 85.78 1.18 1.1327 2 7 1 4 86.31 4.84 1.1271 0 3 5 4 89.09 2.88 1.0990 4 6 0 4 89.93 1.05 1.0909 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.