Baddeleyite Smith D K, Newkirk H W Acta Crystallographica 18 (1965) 983-991 The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2 _database_code_amcsd 0009296 CELL PARAMETERS: 5.1450 5.2075 5.3107 90.000 99.230 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 140.445 Density (g/cm3): 5.827 MAX. ABS. INTENSITY / VOLUME**2: 88.41084075 RIR: 4.941 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.46 5.72 5.0784 1 0 0 2 24.09 16.60 3.6944 0 1 1 4 24.48 11.53 3.6357 1 1 0 4 28.22 100.00 3.1624 -1 1 1 4 31.52 70.83 2.8387 1 1 1 4 34.21 21.62 2.6210 0 0 2 2 34.44 13.14 2.6037 0 2 0 2 35.35 16.44 2.5392 2 0 0 2 35.95 3.26 2.4981 -1 0 2 2 38.61 6.27 2.3319 0 2 1 4 39.48 1.10 2.2823 2 1 0 4 40.78 14.43 2.2126 -2 1 1 4 41.22 5.28 2.1903 1 0 2 2 41.44 5.40 2.1790 -1 2 1 4 44.90 7.72 2.0190 1 1 2 4 45.58 6.80 1.9902 -2 0 2 2 49.00 2.29 1.8591 -2 1 2 4 49.33 19.37 1.8472 0 2 2 4 50.18 23.51 1.8179 2 2 0 4 50.64 13.67 1.8026 -1 2 2 4 51.27 6.46 1.7820 -2 2 1 4 54.17 12.05 1.6930 2 0 2 2 54.18 1.77 1.6928 3 0 0 2 55.36 4.68 1.6595 2 2 1 4 55.47 10.27 1.6565 0 1 3 4 55.69 6.89 1.6506 -1 1 3 4 55.98 9.48 1.6425 1 3 0 4 57.24 9.09 1.6094 -3 1 1 4 57.96 5.83 1.5911 -1 3 1 4 58.36 3.86 1.5812 -2 2 2 4 59.88 9.79 1.5447 1 3 1 4 60.12 8.01 1.5389 -3 0 2 2 61.46 6.64 1.5087 1 1 3 4 62.07 8.01 1.4954 -2 1 3 4 62.93 12.01 1.4770 3 1 1 4 64.19 1.49 1.4509 0 2 3 4 64.37 1.03 1.4472 0 3 2 4 64.39 2.09 1.4469 -1 2 3 4 65.09 1.01 1.4330 2 3 0 4 65.48 2.82 1.4255 -1 3 2 4 65.80 5.68 1.4194 2 2 2 4 65.80 2.10 1.4192 3 2 0 4 66.01 1.18 1.4152 -2 3 1 4 69.04 2.95 1.3604 1 3 2 4 69.74 1.03 1.3484 1 2 3 4 71.17 2.73 1.3248 -3 2 2 4 71.39 4.80 1.3212 -1 0 4 2 72.07 1.06 1.3105 0 0 4 2 72.22 1.67 1.3082 -2 3 2 4 72.62 1.22 1.3019 0 4 0 2 72.75 1.17 1.2999 2 1 3 4 74.78 2.14 1.2696 4 0 0 2 75.20 5.76 1.2635 0 4 1 4 76.54 3.18 1.2447 -4 1 1 4 78.20 1.03 1.2224 1 0 4 2 79.01 1.48 1.2119 3 3 0 4 79.02 1.17 1.2117 -3 3 1 4 81.73 2.48 1.1782 -1 2 4 4 82.70 2.38 1.1669 1 3 3 4 83.24 2.84 1.1607 -2 3 3 4 84.00 1.70 1.1521 3 3 1 4 84.05 1.07 1.1515 -3 3 2 4 84.28 1.99 1.1490 -2 4 1 4 84.99 2.35 1.1412 4 2 0 4 86.28 2.23 1.1275 -3 0 4 2 87.57 3.22 1.1141 2 4 1 4 88.33 2.92 1.1065 1 2 4 4 88.67 3.90 1.1031 3 1 3 4 89.49 1.52 1.0951 2 0 4 2 89.92 4.02 1.0910 -4 1 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.