Ca2Ta2O7 Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L Journal of Solid State Chemistry 174 (2003) 285-295 Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure _database_code_amcsd 0014036 CELL PARAMETERS: 12.7610 7.3580 24.5650 90.000 100.170 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2270.302 Density (g/cm3): 6.504 MAX. ABS. INTENSITY / VOLUME**2: 129.4109673 RIR: 6.479 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.93 2.63 6.3578 -2 0 1 2 13.95 2.94 6.3488 1 1 0 2 14.10 2.19 6.2799 -1 1 1 2 14.65 27.65 6.0448 0 0 4 2 14.70 6.28 6.0253 -2 0 2 2 14.74 4.10 6.0103 1 1 1 2 15.17 3.00 5.8395 -1 1 2 2 15.19 2.54 5.8331 2 0 1 2 16.29 2.59 5.4416 -2 0 3 2 16.34 2.96 5.4251 1 1 2 2 16.99 22.31 5.2189 -1 1 3 2 17.02 6.33 5.2095 2 0 2 2 18.55 2.26 4.7841 1 1 3 2 19.35 1.94 4.5871 -1 1 4 2 19.39 2.00 4.5775 2 0 3 2 21.12 2.32 4.2075 -2 0 5 2 21.18 2.51 4.1949 1 1 4 2 22.09 1.77 4.0240 -1 1 5 2 24.04 3.06 3.7017 -2 0 6 2 24.11 10.19 3.6914 1 1 5 2 24.17 9.35 3.6826 -3 1 1 2 24.19 2.47 3.6790 0 2 0 1 24.44 1.26 3.6422 -3 1 2 2 24.46 1.09 3.6390 3 1 0 2 24.47 2.14 3.6371 0 2 1 2 25.09 2.28 3.5486 -1 1 6 2 25.15 2.00 3.5412 2 0 5 2 25.30 1.36 3.5198 3 1 1 2 26.58 1.99 3.3533 -3 1 4 2 26.63 2.57 3.3468 0 2 3 2 26.64 1.22 3.3457 3 1 2 2 28.29 1.49 3.1547 -1 1 7 2 28.35 1.88 3.1484 2 0 6 2 28.40 2.82 3.1427 0 2 4 2 28.42 6.84 3.1401 4 0 0 2 28.43 13.58 3.1400 -2 2 2 2 29.56 51.49 3.0224 0 0 8 2 29.65 50.62 3.0127 -4 0 4 2 29.73 100.00 3.0052 2 2 2 2 34.37 48.37 2.6094 -2 2 6 2 34.43 24.16 2.6048 4 0 4 2 35.65 1.08 2.5182 0 2 7 2 37.60 1.48 2.3920 2 2 6 2 38.48 2.39 2.3397 -3 1 9 2 38.55 1.13 2.3354 0 2 8 2 38.59 1.91 2.3328 3 1 7 2 38.67 1.22 2.3284 5 1 1 2 38.67 1.02 2.3282 -1 3 3 2 42.29 1.35 2.1369 -1 1 11 2 42.40 2.08 2.1318 -5 1 7 2 42.51 2.27 2.1265 1 3 5 2 42.52 1.66 2.1259 4 2 4 2 42.55 1.66 2.1248 -3 3 1 2 44.99 3.29 2.0149 0 0 12 2 45.06 2.41 2.0120 -2 2 10 2 45.16 1.30 2.0077 4 0 8 2 49.23 13.62 1.8509 -4 0 12 2 49.38 28.07 1.8457 2 2 10 2 49.50 29.05 1.8413 -6 2 2 2 49.55 14.91 1.8395 0 4 0 1 51.87 2.13 1.7629 -6 2 6 2 51.96 1.96 1.7599 6 2 2 2 51.96 2.11 1.7598 0 4 4 2 52.49 1.48 1.7434 1 1 13 2 52.67 1.30 1.7378 -7 1 5 2 52.70 1.59 1.7368 3 3 7 2 52.76 1.35 1.7349 5 3 1 2 58.03 1.03 1.5895 -8 0 4 2 58.12 2.20 1.5872 4 4 0 2 58.52 15.01 1.5773 -2 2 14 2 58.63 13.85 1.5746 -6 2 10 2 58.65 7.44 1.5742 4 0 12 2 58.76 13.51 1.5713 0 4 8 2 58.80 13.07 1.5704 6 2 6 2 58.81 6.96 1.5701 8 0 0 2 58.82 13.78 1.5700 -4 4 4 2 61.35 5.40 1.5112 0 0 16 2 61.57 5.27 1.5063 -8 0 8 2 61.74 10.58 1.5026 4 4 4 2 63.59 1.43 1.4632 2 2 14 2 68.99 1.31 1.3613 -6 2 14 2 69.15 1.33 1.3585 0 4 12 2 69.22 1.29 1.3572 6 2 10 2 72.44 7.63 1.3047 -4 4 12 2 72.59 3.92 1.3024 8 0 8 2 79.82 2.37 1.2016 -4 0 20 2 79.97 2.51 1.1998 -8 0 16 2 80.01 4.77 1.1993 2 2 18 2 80.27 5.29 1.1960 4 4 12 2 80.30 4.98 1.1956 -10 2 6 2 80.41 5.18 1.1942 8 4 0 2 80.45 5.14 1.1937 2 6 2 2 82.44 4.61 1.1699 -6 2 18 2 82.63 4.47 1.1677 0 4 16 2 82.74 4.37 1.1664 6 2 14 2 82.83 4.19 1.1654 -8 4 8 2 82.94 4.14 1.1642 10 2 2 2 82.94 4.25 1.1641 -2 6 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.