Baddeleyite Howard C J, Hill R J, Reichert B E Acta Crystallographica B44 (1988) 116-120 Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Locality: synthetic _database_code_amcsd 0019229 CELL PARAMETERS: 5.1505 5.2116 5.3173 90.000 99.230 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 140.881 Density (g/cm3): 5.809 MAX. ABS. INTENSITY / VOLUME**2: 89.52662662 RIR: 5.018 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.44 5.65 5.0838 1 0 0 2 24.06 16.01 3.6981 0 1 1 4 24.46 11.30 3.6391 1 1 0 4 28.19 100.00 3.1656 -1 1 1 4 31.48 70.09 2.8417 1 1 1 4 34.17 20.84 2.6242 0 0 2 2 34.42 13.06 2.6058 0 2 0 2 35.31 15.81 2.5419 2 0 0 2 35.91 3.31 2.5011 -1 0 2 2 38.57 5.79 2.3340 0 2 1 4 40.74 13.92 2.2149 -2 1 1 4 41.16 5.11 2.1929 1 0 2 2 41.40 4.87 2.1809 -1 2 1 4 44.84 7.05 2.0213 1 1 2 4 45.52 6.95 1.9925 -2 0 2 2 48.94 2.02 1.8611 -2 1 2 4 49.28 19.34 1.8491 0 2 2 4 50.13 24.07 1.8196 2 2 0 4 50.58 13.52 1.8044 -1 2 2 4 51.21 5.90 1.7837 -2 2 1 4 54.11 12.12 1.6950 2 0 2 2 54.12 1.56 1.6946 3 0 0 2 55.30 4.25 1.6612 2 2 1 4 55.40 9.98 1.6585 0 1 3 4 55.61 6.76 1.6526 -1 1 3 4 55.93 8.46 1.6439 1 3 0 4 57.18 8.92 1.6111 -3 1 1 4 57.91 5.92 1.5925 -1 3 1 4 58.29 3.96 1.5828 -2 2 2 4 59.82 10.15 1.5460 1 3 1 4 60.05 7.92 1.5406 -3 0 2 2 61.38 6.69 1.5105 1 1 3 4 61.99 7.80 1.4971 -2 1 3 4 62.85 11.76 1.4786 3 1 1 4 64.11 1.44 1.4525 0 2 3 4 64.31 1.01 1.4486 0 3 2 4 64.31 1.82 1.4485 -1 2 3 4 65.41 2.74 1.4268 -1 3 2 4 65.72 5.49 1.4208 2 2 2 4 65.73 2.16 1.4206 3 2 0 4 65.95 1.21 1.4165 -2 3 1 4 68.96 2.66 1.3617 1 3 2 4 71.08 2.58 1.3262 -3 2 2 4 71.29 4.74 1.3229 -1 0 4 2 71.97 1.01 1.3121 0 0 4 2 72.14 1.57 1.3094 -2 3 2 4 72.55 1.38 1.3029 0 4 0 2 72.65 1.20 1.3014 2 1 3 4 74.68 2.25 1.2710 4 0 0 2 75.13 5.39 1.2645 0 4 1 4 76.44 3.10 1.2460 -4 1 1 4 78.92 1.48 1.2130 3 3 0 4 78.93 1.29 1.2128 -3 3 1 4 81.62 2.46 1.1796 -1 2 4 4 82.59 2.35 1.1681 1 3 3 4 83.13 2.95 1.1619 -2 3 3 4 83.35 1.06 1.1595 2 4 0 4 83.90 1.79 1.1532 3 3 1 4 84.19 1.83 1.1500 -2 4 1 4 84.89 2.24 1.1423 4 2 0 4 86.15 2.10 1.1288 -3 0 4 2 87.47 2.98 1.1151 2 4 1 4 88.20 2.94 1.1078 1 2 4 4 88.55 3.76 1.1043 3 1 3 4 89.35 1.42 1.0965 2 0 4 2 89.80 3.97 1.0922 -4 1 3 4 89.98 1.14 1.0905 -2 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.