Stefanweissite 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: CaZrTiFe0.5Nb0.5O7 Locality: synthetic _database_code_amcsd 0020828 CELL PARAMETERS: 12.5280 7.3042 11.4267 90.000 100.602 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1027.775 Density (g/cm3): 4.721 MAX. ABS. INTENSITY / VOLUME**2: 47.19463388 RIR: 3.255 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.10 7.29 6.2822 1 1 0 4 15.50 3.21 5.7162 -1 1 1 4 16.80 7.52 5.2759 1 1 1 4 20.20 1.21 4.3969 -1 1 2 4 22.20 6.79 4.0042 1 1 2 4 23.32 3.92 3.8144 2 0 2 2 24.88 1.03 3.5784 3 1 0 4 25.65 3.20 3.4731 0 2 1 4 26.55 11.09 3.3577 -1 1 3 4 27.32 3.48 3.2644 -3 1 2 4 27.34 6.88 3.2616 3 1 1 4 29.17 1.06 3.0616 0 2 2 4 30.26 100.00 2.9540 2 2 1 4 30.44 50.19 2.9369 -4 0 2 2 31.87 39.49 2.8079 0 0 4 2 32.52 1.22 2.7532 -2 0 4 2 35.54 22.44 2.5259 -2 2 3 4 35.75 11.76 2.5117 4 0 2 2 39.13 2.22 2.3023 2 2 3 4 39.25 1.04 2.2955 -4 0 4 2 40.24 1.59 2.2413 4 2 1 4 41.89 1.57 2.1564 -5 1 3 4 42.39 1.03 2.1325 -4 2 3 4 44.10 2.22 2.0533 -6 0 2 2 44.75 1.60 2.0253 -3 3 2 4 44.76 2.78 2.0246 3 3 1 4 47.52 3.39 1.9134 0 2 5 4 47.76 2.04 1.9044 3 3 2 4 48.13 1.06 1.8904 -2 0 6 2 48.49 2.15 1.8773 4 2 3 4 48.64 1.90 1.8719 0 0 6 2 49.94 14.34 1.8261 0 4 0 2 50.34 30.52 1.8127 -6 2 1 4 51.08 2.98 1.7881 1 3 4 4 51.30 1.96 1.7810 -5 1 5 4 51.33 1.33 1.7801 -3 1 6 4 51.38 1.64 1.7784 3 1 5 4 52.24 21.25 1.7511 2 2 5 4 52.32 10.96 1.7486 -4 0 6 2 53.74 1.28 1.7058 2 0 6 2 55.82 1.67 1.6471 2 4 2 4 57.71 1.93 1.5974 5 3 2 4 57.90 1.17 1.5927 -7 1 4 4 57.97 1.14 1.5908 -1 1 7 4 59.62 10.27 1.5507 -4 4 2 4 60.11 5.13 1.5393 8 0 0 2 60.48 6.95 1.5308 0 4 4 4 60.50 1.23 1.5303 -6 0 6 2 60.79 7.44 1.5237 -6 2 5 4 60.86 7.62 1.5221 6 2 3 4 60.87 2.05 1.5218 -2 4 4 4 62.48 6.17 1.4865 -2 2 7 4 62.65 3.31 1.4829 4 0 6 2 62.93 5.31 1.4770 4 4 2 4 63.34 2.51 1.4684 -8 0 4 2 63.47 1.07 1.4656 -3 3 6 4 65.00 1.11 1.4348 1 5 1 4 65.65 1.25 1.4222 -4 2 7 4 66.61 1.39 1.4040 0 0 8 2 68.91 1.83 1.3627 -1 5 3 4 69.32 1.09 1.3556 -7 3 4 4 75.24 4.13 1.2630 -4 4 6 4 75.74 2.20 1.2559 8 0 4 2 81.32 2.73 1.1831 2 6 1 4 81.84 3.17 1.1769 8 4 0 4 82.12 3.11 1.1737 -10 2 3 4 84.09 1.98 1.1511 4 4 6 4 84.22 1.88 1.1497 -2 6 3 4 84.70 2.21 1.1443 -8 4 4 4 85.07 2.06 1.1404 10 2 1 4 86.59 1.03 1.1241 2 2 9 4 87.92 1.01 1.1106 -6 2 9 4 88.04 1.12 1.1094 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.