Ca3Zr2Fe1.5Al0.5SiO12 Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J Journal of Solid State Chemistry 180 (2007) 785-791 The structure and ordering of zirconium and hafnium containing garnets studied by electron channelli neutron diffraction and Mossbauer spectroscopy Locality: synthetic _database_code_amcsd 0014051 CELL PARAMETERS: 12.5844 12.5844 12.5844 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1992.955 Density (g/cm3): 4.071 MAX. ABS. INTENSITY / VOLUME**2: 38.74497371 RIR: 3.099 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.96 54.03 4.4493 2 2 0 12 28.37 77.03 3.1461 4 0 0 6 31.80 68.40 2.8140 4 2 0 24 33.40 8.74 2.6830 3 3 2 24 34.93 100.00 2.5688 4 2 2 24 36.40 7.56 2.4680 4 3 1 48 39.21 4.47 2.2976 5 2 1 48 40.55 3.63 2.2246 4 4 0 12 44.37 4.06 2.0415 6 1 1 24 44.37 2.82 2.0415 5 3 2 48 45.59 21.90 1.9898 6 2 0 24 50.23 1.52 1.8164 4 4 4 8 52.43 23.79 1.7451 6 4 0 24 54.57 93.75 1.6817 6 4 2 48 58.69 15.85 1.5731 8 0 0 6 62.64 1.78 1.4831 6 6 0 12 62.64 5.78 1.4831 8 2 2 24 66.45 21.51 1.4070 8 4 0 24 68.31 11.79 1.3731 8 4 2 48 70.15 17.00 1.3415 6 6 4 24 73.77 3.64 1.2844 8 4 4 24 74.67 1.01 1.2712 8 5 3 48 77.32 3.33 1.2340 8 6 2 48 82.57 4.09 1.1684 10 4 0 24 82.57 5.85 1.1684 8 6 4 48 84.30 22.06 1.1488 10 4 2 48 87.75 11.48 1.1123 8 8 0 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.