Tausonite Yamanaka T, Hirai M, Komatsu Y American Mineralogist 87 (2002) 1183-1189 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: P = 4.1 GPa, Ca.35Sr.65TiO3 _database_code_amcsd 0002896 CELL PARAMETERS: 5.4230 5.4200 7.6470 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 224.766 Density (g/cm3): 4.930 MAX. ABS. INTENSITY / VOLUME**2: 65.80137219 RIR: 4.346 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.07 2.78 4.4236 1 0 1 4 26.00 1.18 3.4270 1 1 1 8 33.04 22.78 2.7115 2 0 0 2 33.05 23.85 2.7100 0 2 0 2 33.09 100.00 2.7072 1 1 2 8 35.13 2.98 2.5543 0 2 1 4 38.96 6.83 2.3115 2 1 1 8 40.80 10.59 2.2118 2 0 2 4 40.81 11.65 2.2110 0 2 2 4 47.43 37.10 1.9168 2 2 0 4 47.56 20.90 1.9117 0 0 4 2 48.99 1.67 1.8593 2 2 1 8 51.98 1.05 1.7592 3 0 1 4 52.05 2.57 1.7569 2 1 3 8 54.89 1.20 1.6725 1 3 1 8 59.04 14.28 1.5647 3 1 2 8 59.06 15.24 1.5641 1 3 2 8 59.13 7.71 1.5624 2 0 4 4 59.14 8.07 1.5622 0 2 4 4 63.00 1.32 1.4756 3 2 1 8 63.01 1.06 1.4752 2 3 1 8 69.31 3.55 1.3557 4 0 0 2 69.35 4.19 1.3550 0 4 0 2 69.44 17.70 1.3536 2 2 4 8 72.99 2.61 1.2962 4 1 1 8 78.96 1.89 1.2125 4 2 0 4 78.99 2.19 1.2121 2 4 0 4 79.00 4.85 1.2120 3 3 2 8 79.20 6.38 1.2094 1 1 6 8 80.18 1.10 1.1971 2 4 1 8 82.54 1.76 1.1688 4 1 3 8 88.39 3.12 1.1059 4 0 4 4 88.43 3.69 1.1055 0 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.