Baddeleyite Kudoh Y, Takeda H, Arashi H Physics and Chemistry of Minerals 13 (1986) 233-237 In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 15 kbar _database_code_amcsd 0007415 CELL PARAMETERS: 5.1200 5.2160 5.2810 90.000 99.010 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 139.294 Density (g/cm3): 5.875 MAX. ABS. INTENSITY / VOLUME**2: 87.02042486 RIR: 4.823 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.54 5.92 5.0568 1 0 0 2 24.13 15.69 3.6882 0 1 1 4 24.52 11.98 3.6307 1 1 0 4 28.33 100.00 3.1506 -1 1 1 4 31.57 67.81 2.8342 1 1 1 4 34.39 13.51 2.6080 0 2 0 2 34.39 20.94 2.6079 0 0 2 2 35.50 14.94 2.5284 2 0 0 2 36.20 2.84 2.4816 -1 0 2 2 38.60 5.17 2.3327 0 2 1 4 40.98 13.68 2.2023 -2 1 1 4 41.36 5.28 2.1828 1 0 2 2 41.48 5.07 2.1769 -1 2 1 4 45.02 6.22 2.0136 1 1 2 4 45.91 6.30 1.9766 -2 0 2 2 49.30 1.71 1.8483 -2 1 2 4 49.42 18.04 1.8441 0 2 2 4 50.26 22.16 1.8153 2 2 0 4 50.79 12.20 1.7978 -1 2 2 4 51.40 5.54 1.7776 -2 2 1 4 54.35 11.11 1.6880 2 0 2 2 54.43 1.29 1.6856 3 0 0 2 55.43 3.95 1.6576 2 2 1 4 55.73 9.11 1.6494 0 1 3 4 55.92 7.74 1.6442 1 3 0 4 56.02 6.09 1.6416 -1 1 3 4 57.55 7.99 1.6016 -3 1 1 4 57.94 5.19 1.5915 -1 3 1 4 58.60 3.38 1.5753 -2 2 2 4 59.83 9.27 1.5457 1 3 1 4 60.56 6.89 1.5290 -3 0 2 2 61.69 5.64 1.5036 1 1 3 4 62.49 6.49 1.4862 -2 1 3 4 63.13 10.32 1.4727 3 1 1 4 64.40 1.15 1.4466 0 2 3 4 64.67 1.67 1.4414 -1 2 3 4 65.56 2.17 1.4239 -1 3 2 4 65.92 4.53 1.4171 2 2 2 4 65.99 1.95 1.4157 3 2 0 4 69.06 2.49 1.3600 1 3 2 4 71.53 2.10 1.3190 -3 2 2 4 71.89 3.71 1.3134 -1 0 4 2 72.39 1.28 1.3055 -2 3 2 4 72.48 1.05 1.3040 0 4 0 2 75.09 4.37 1.2651 0 4 1 4 75.15 1.84 1.2642 4 0 0 2 76.98 2.33 1.2387 -4 1 1 4 79.14 1.10 1.2102 3 3 0 4 82.17 1.89 1.1730 -1 2 4 4 82.83 1.87 1.1654 1 3 3 4 83.55 2.27 1.1572 -2 3 3 4 84.12 1.27 1.1508 3 3 1 4 84.28 1.44 1.1490 -2 4 1 4 85.32 1.60 1.1376 4 2 0 4 87.02 1.62 1.1197 -3 0 4 2 87.53 2.18 1.1145 2 4 1 4 88.67 2.21 1.1031 1 2 4 4 88.99 2.81 1.1000 3 1 3 4 89.88 1.03 1.0914 2 0 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.