Zirconolite Whittle K R, Hyatt N C, Smith K L, Margiolaki I, Berry F J, Knight K S, Lumpkin G R American Mineralogist 97 (2012) 291-298 Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTi2O7 Locality: synthetic _database_code_amcsd 0020827 CELL PARAMETERS: 12.4430 7.2729 11.3809 90.000 100.564 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1012.475 Density (g/cm3): 4.448 MAX. ABS. INTENSITY / VOLUME**2: 37.42215997 RIR: 2.740 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.17 7.97 6.2514 1 1 0 4 15.58 4.61 5.6889 -1 1 1 4 15.84 1.67 5.5940 0 0 2 2 16.88 7.99 5.2517 1 1 1 4 19.44 1.84 4.5657 -2 0 2 2 20.29 1.96 4.3774 -1 1 2 4 22.30 10.94 3.9871 1 1 2 4 23.44 2.36 3.7957 2 0 2 2 24.48 1.17 3.6365 0 2 0 2 25.04 1.66 3.5566 3 1 0 4 25.76 2.28 3.4584 0 2 1 4 26.66 9.97 3.3435 -1 1 3 4 27.48 4.52 3.2455 -3 1 2 4 27.50 6.70 3.2430 3 1 1 4 28.93 1.34 3.0863 -2 2 1 4 29.29 1.06 3.0489 0 2 2 4 30.40 100.00 2.9399 2 2 1 4 30.64 50.67 2.9178 -4 0 2 2 32.00 41.13 2.7970 0 0 4 2 32.67 1.10 2.7408 -2 0 4 2 35.71 19.46 2.5143 -2 2 3 4 35.96 10.43 2.4975 4 0 2 2 37.60 1.48 2.3923 -3 1 4 4 38.42 1.32 2.3431 -1 3 1 4 39.31 6.81 2.2921 2 2 3 4 39.47 2.97 2.2828 -4 0 4 2 40.47 1.74 2.2290 4 2 1 4 42.16 2.14 2.1432 -5 1 3 4 42.63 1.06 2.1209 -4 2 3 4 43.43 1.10 2.0838 3 3 0 4 44.24 1.20 2.0473 -3 1 5 4 44.42 2.27 2.0395 -6 0 2 2 44.98 1.32 2.0155 -3 3 2 4 44.99 3.49 2.0149 3 3 1 4 47.72 1.24 1.9059 -2 2 5 4 47.72 3.12 1.9057 0 2 5 4 48.00 1.96 1.8955 3 3 2 4 48.35 1.40 1.8825 -2 0 6 2 48.75 1.46 1.8679 4 2 3 4 48.84 1.23 1.8647 0 0 6 2 50.17 15.16 1.8182 0 4 0 2 50.67 33.09 1.8015 -6 2 1 4 51.31 2.61 1.7807 1 3 4 4 51.57 1.48 1.7721 -3 1 6 4 51.60 1.49 1.7713 -5 1 5 4 51.62 1.67 1.7706 3 1 5 4 52.46 1.37 1.7442 -4 2 5 4 52.48 22.35 1.7437 2 2 5 4 52.51 1.15 1.7427 1 1 6 4 52.59 10.97 1.7402 -4 0 6 2 52.95 1.32 1.7292 0 4 2 4 53.97 1.08 1.6988 2 0 6 2 56.09 1.36 1.6398 2 4 2 4 57.58 1.04 1.6007 3 3 4 4 58.04 1.67 1.5891 5 3 2 4 58.23 1.01 1.5845 -1 1 7 4 58.30 1.10 1.5827 -7 1 4 4 59.94 10.08 1.5431 -4 4 2 4 60.56 5.04 1.5290 8 0 0 2 60.76 6.96 1.5244 0 4 4 4 60.87 1.24 1.5219 -6 0 6 2 61.17 7.19 1.5152 -6 2 5 4 61.17 1.98 1.5151 -2 4 4 4 61.23 8.12 1.5138 6 2 3 4 62.77 6.15 1.4804 -2 2 7 4 62.96 3.60 1.4763 4 0 6 2 63.26 4.84 1.4699 4 4 2 4 63.59 1.14 1.4632 0 2 7 4 63.80 2.11 1.4589 -8 0 4 2 65.99 1.14 1.4156 -4 2 7 4 66.91 1.64 1.3985 0 0 8 2 69.25 1.42 1.3568 -1 5 3 4 75.65 4.12 1.2572 -4 4 6 4 76.25 2.45 1.2487 8 0 4 2 81.76 2.67 1.1780 2 6 1 4 82.41 3.23 1.1702 8 4 0 4 82.77 3.08 1.1660 -10 2 3 4 84.55 2.14 1.1461 4 4 6 4 84.67 1.71 1.1447 -2 6 3 4 85.30 1.97 1.1379 -8 4 4 4 85.74 2.03 1.1332 10 2 1 4 87.03 1.23 1.1196 2 2 9 4 88.13 1.12 1.1085 0 4 8 4 88.46 1.08 1.1052 -6 2 9 4 88.56 1.39 1.1042 6 2 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.