Baddeleyite McCullough J D, Trueblood K N Acta Crystallographica 12 (1959) 507-511 The crystal structure of baddeleyite (monoclinic ZrO2) _database_code_amcsd 0009231 CELL PARAMETERS: 5.1690 5.2320 5.3410 90.000 99.250 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 142.565 Density (g/cm3): 5.740 MAX. ABS. INTENSITY / VOLUME**2: 85.98616747 RIR: 4.878 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.38 5.95 5.1018 1 0 0 2 23.96 16.08 3.7135 0 1 1 4 24.37 11.54 3.6527 1 1 0 4 28.07 100.00 3.1785 -1 1 1 4 31.36 67.78 2.8526 1 1 1 4 34.01 20.60 2.6358 0 0 2 2 34.28 13.60 2.6160 0 2 0 2 35.18 15.40 2.5509 2 0 0 2 35.74 3.28 2.5122 -1 0 2 2 38.41 5.80 2.3433 0 2 1 4 40.58 13.46 2.2234 -2 1 1 4 40.99 4.71 2.2018 1 0 2 2 41.23 4.89 2.1896 -1 2 1 4 44.65 6.47 2.0294 1 1 2 4 45.33 6.76 2.0008 -2 0 2 2 48.73 1.87 1.8688 -2 1 2 4 49.06 18.25 1.8567 0 2 2 4 49.94 21.52 1.8263 2 2 0 4 50.36 11.76 1.8120 -1 2 2 4 51.00 5.66 1.7906 -2 2 1 4 53.89 11.06 1.7014 2 0 2 2 53.91 1.47 1.7006 3 0 0 2 55.08 4.07 1.6674 2 2 1 4 55.14 9.01 1.6657 0 1 3 4 55.35 6.34 1.6599 -1 1 3 4 55.70 8.16 1.6502 1 3 0 4 56.95 8.00 1.6170 -3 1 1 4 57.66 5.15 1.5988 -1 3 1 4 58.04 3.32 1.5892 -2 2 2 4 59.57 8.70 1.5520 1 3 1 4 59.79 6.96 1.5467 -3 0 2 2 61.10 6.06 1.5168 1 1 3 4 61.69 6.82 1.5035 -2 1 3 4 62.60 10.37 1.4839 3 1 1 4 63.81 1.35 1.4587 0 2 3 4 64.00 1.63 1.4547 -1 2 3 4 65.11 2.37 1.4326 -1 3 2 4 65.44 4.91 1.4263 2 2 2 4 65.46 1.95 1.4258 3 2 0 4 65.66 1.04 1.4220 -2 3 1 4 68.65 2.64 1.3671 1 3 2 4 70.76 2.33 1.3314 -3 2 2 4 70.93 3.96 1.3288 -1 0 4 2 71.80 1.45 1.3147 -2 3 2 4 72.23 1.02 1.3080 0 4 0 2 74.38 1.89 1.2754 4 0 0 2 74.78 4.41 1.2695 0 4 1 4 76.12 2.61 1.2506 -4 1 1 4 78.57 1.19 1.2176 3 3 0 4 78.58 1.08 1.2174 -3 3 1 4 81.19 2.02 1.1847 -1 2 4 4 82.19 1.80 1.1729 1 3 3 4 82.71 2.24 1.1667 -2 3 3 4 83.52 1.44 1.1575 3 3 1 4 83.79 1.65 1.1545 -2 4 1 4 84.51 1.70 1.1464 4 2 0 4 85.69 1.64 1.1337 -3 0 4 2 87.05 2.41 1.1194 2 4 1 4 87.74 2.11 1.1124 1 2 4 4 88.12 2.97 1.1085 3 1 3 4 88.89 1.10 1.1009 2 0 4 2 89.34 3.09 1.0965 -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.