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 = 39 kbar, post baddeleyite structure _database_code_amcsd 0007416 CELL PARAMETERS: 5.0050 5.2350 5.0510 90.000 90.000 90.000 SPACE GROUP: Pbcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 132.342 Density (g/cm3): 6.184 MAX. ABS. INTENSITY / VOLUME**2: 171.1715693 RIR: 9.013 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.72 2.03 5.0050 1 0 0 2 24.61 5.02 3.6176 1 1 0 4 30.39 100.00 2.9411 1 1 1 8 34.26 11.22 2.6175 0 2 0 2 35.55 13.02 2.5255 0 0 2 2 35.88 9.75 2.5025 2 0 0 2 38.75 2.31 2.3240 0 2 1 4 42.91 1.06 2.1078 1 2 1 8 43.71 2.74 2.0708 1 1 2 8 43.93 3.65 2.0612 2 1 1 8 50.20 15.74 1.8175 0 2 2 4 50.45 14.14 1.8088 2 2 0 4 51.40 15.46 1.7776 2 0 2 4 53.65 1.46 1.7083 1 2 2 8 53.83 4.50 1.7029 2 2 1 8 55.79 4.49 1.6477 1 3 0 4 58.96 11.46 1.5665 1 3 1 8 60.67 14.92 1.5264 1 1 3 8 61.12 14.30 1.5163 3 1 1 8 63.23 7.51 1.4706 2 2 2 8 65.97 1.41 1.4160 0 2 3 4 67.26 1.01 1.3920 3 0 2 4 67.92 3.09 1.3800 1 3 2 8 74.96 2.09 1.2669 0 4 1 4 75.25 1.88 1.2628 0 0 4 2 76.07 1.45 1.2513 4 0 0 2 81.79 3.55 1.1776 1 3 3 8 82.18 2.82 1.1729 3 3 1 8 83.32 1.03 1.1597 2 4 0 4 83.67 4.15 1.1558 3 1 3 8 85.35 1.63 1.1373 0 2 4 4 86.01 2.75 1.1303 2 4 1 8 86.14 1.50 1.1289 4 2 0 4 86.29 2.24 1.1274 2 0 4 4 86.88 1.78 1.1212 4 0 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.