(K.67Th.33)TiO3 Chakhmouradian A R, Mitchell R H American Mineralogist 86 (2001) 1076-1080 Crystal structure of novel high-pressure perovskite K2/3Th1/3TiO3, a possible host for Th in the upper mantle _database_code_amcsd 0002671 CELL PARAMETERS: 3.9007 3.9007 7.8099 90.000 90.000 90.000 SPACE GROUP: P4/mmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 118.831 Density (g/cm3): 5.443 MAX. ABS. INTENSITY / VOLUME**2: 96.63766974 RIR: 5.781 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.33 30.39 7.8099 0 0 1 2 22.77 3.60 3.9049 0 0 2 2 22.80 6.80 3.9007 1 0 0 4 25.53 16.23 3.4897 1 0 1 8 32.44 100.00 2.7597 1 0 2 8 32.46 49.93 2.7582 1 1 0 4 34.45 1.04 2.6033 0 0 3 2 34.49 6.06 2.6008 1 1 1 8 40.02 32.89 2.2529 1 1 2 8 41.71 4.32 2.1654 1 0 3 8 46.51 18.41 1.9525 0 0 4 2 46.57 37.78 1.9504 2 0 0 4 48.06 4.82 1.8932 1 1 3 8 48.08 3.49 1.8922 2 0 1 8 52.40 2.20 1.7460 1 0 4 8 52.44 2.27 1.7448 2 0 2 8 52.45 2.19 1.7444 2 1 0 8 53.85 4.42 1.7025 2 1 1 16 57.86 17.80 1.5936 1 1 4 8 57.90 34.20 1.5927 2 1 2 16 59.19 1.08 1.5609 2 0 3 8 64.23 1.37 1.4500 1 0 5 8 64.28 2.47 1.4492 2 1 3 16 67.93 19.18 1.3799 2 0 4 8 67.97 9.82 1.3791 2 2 0 4 69.17 1.15 1.3581 2 2 1 8 72.69 2.06 1.3009 2 1 4 16 72.72 1.06 1.3004 2 2 2 8 77.27 6.73 1.2347 1 0 6 8 77.35 6.71 1.2336 3 0 2 8 77.36 6.71 1.2335 3 1 0 8 78.44 1.14 1.2192 2 0 5 8 78.50 1.27 1.2184 3 1 1 16 81.82 2.84 1.1772 1 1 6 8 81.90 6.18 1.1762 3 1 2 16 82.98 1.34 1.1637 2 1 5 16 86.37 8.91 1.1264 2 2 4 8 87.51 1.56 1.1147 3 1 3 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.