TaBr4(PhPMe2)2 Hovnanian N, Hubert-Pfalzgraf L G, Borgne G L Acta Crystallographica C46 (1990) 1207-1209 Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 1 _database_code_amcsd 0010157 CELL PARAMETERS: 8.4930 30.3690 8.8980 90.000 99.220 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 2265.356 Density (g/cm3): 2.212 MAX. ABS. INTENSITY / VOLUME**2: 30.53099448 RIR: 4.493 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.55 65.30 8.3833 1 0 0 2 10.95 1.70 8.0810 1 1 0 4 11.64 100.00 7.6028 0 2 1 4 11.66 53.53 7.5922 0 4 0 2 13.35 2.06 6.6341 0 3 1 4 13.71 1.26 6.4567 1 3 0 4 14.60 56.82 6.0660 -1 2 1 4 15.75 31.99 5.6275 1 4 0 4 16.00 1.12 5.5386 -1 3 1 4 16.79 31.21 5.2792 1 2 1 4 19.84 1.70 4.4745 -1 5 1 4 20.22 4.60 4.3915 0 0 2 2 20.25 10.77 4.3854 0 6 1 4 20.43 3.85 4.3463 0 1 2 4 21.20 2.25 4.1916 2 0 0 2 21.52 1.62 4.1292 1 5 1 4 22.06 2.13 4.0288 0 3 2 4 22.11 3.36 4.0202 -1 6 1 4 22.86 1.72 3.8898 0 7 1 4 22.96 3.59 3.8728 2 3 0 4 23.08 1.34 3.8530 1 7 0 4 23.40 6.07 3.8014 0 4 2 4 23.43 3.63 3.7961 0 8 0 2 23.64 3.17 3.7641 1 6 1 4 24.25 4.98 3.6695 2 4 0 4 24.33 5.57 3.6582 -1 4 2 4 25.02 7.41 3.5588 0 5 2 4 25.65 2.38 3.4727 2 2 1 4 25.76 1.29 3.4581 1 8 0 4 25.83 3.64 3.4499 2 5 0 4 25.91 1.42 3.4392 1 3 2 4 26.49 4.95 3.3645 2 3 1 4 26.88 2.62 3.3170 0 6 2 4 27.07 2.18 3.2945 1 4 2 4 27.63 1.05 3.2286 2 4 1 4 27.63 6.44 3.2283 2 6 0 4 27.70 2.65 3.2206 -1 6 2 4 28.25 8.21 3.1590 -2 6 1 4 28.38 1.29 3.1447 -2 3 2 4 28.49 1.53 3.1328 1 5 2 4 28.93 1.64 3.0863 0 7 2 4 29.03 5.90 3.0760 2 5 1 4 30.66 3.15 2.9158 2 6 1 4 30.77 2.14 2.9054 -2 5 2 4 31.11 1.24 2.8747 0 2 3 4 31.14 4.28 2.8719 0 8 2 4 31.27 1.57 2.8609 -1 2 3 4 31.80 4.88 2.8137 2 8 0 4 31.82 4.06 2.8124 0 3 3 4 31.86 11.37 2.8086 -1 8 2 4 31.93 2.35 2.8032 2 1 2 4 32.44 2.19 2.7601 -1 10 1 4 32.49 2.91 2.7554 2 7 1 4 33.53 1.11 2.6729 1 10 1 4 33.96 1.98 2.6396 2 4 2 4 33.99 2.43 2.6373 0 5 3 4 34.04 3.84 2.6336 1 8 2 4 34.08 1.75 2.6308 -2 7 2 4 34.15 1.63 2.6258 1 1 3 4 34.19 2.48 2.6224 3 4 0 4 34.54 1.48 2.5968 1 2 3 4 34.96 1.21 2.5666 -2 2 3 4 35.36 1.06 2.5386 3 5 0 4 35.42 2.94 2.5343 0 6 3 4 35.56 3.70 2.5248 -1 6 3 4 35.60 1.23 2.5219 -2 3 3 4 35.74 2.22 2.5125 3 2 1 4 36.01 9.05 2.4941 -2 8 2 4 36.73 3.23 2.4470 -3 6 1 4 37.02 7.10 2.4282 -2 10 1 4 37.04 1.23 2.4268 0 7 3 4 37.20 1.06 2.4172 -3 4 2 4 38.31 1.12 2.3493 3 5 1 4 38.51 1.69 2.3377 1 6 3 4 38.89 2.61 2.3156 -2 6 3 4 38.95 2.87 2.3124 2 10 1 4 39.60 1.83 2.2756 3 6 1 4 39.87 1.48 2.2612 2 8 2 4 40.03 1.19 2.2526 1 7 3 4 40.07 2.22 2.2504 3 8 0 4 40.76 2.81 2.2139 2 2 3 4 40.78 1.73 2.2128 -1 0 4 2 41.17 1.93 2.1927 0 12 2 4 41.69 2.02 2.1665 2 12 0 4 41.74 2.51 2.1642 -1 12 2 4 42.56 1.57 2.1244 -1 4 4 4 42.72 2.98 2.1167 -3 8 2 4 42.74 1.46 2.1158 3 4 2 4 42.87 1.02 2.1093 0 4 4 4 42.91 2.65 2.1077 0 10 3 4 43.03 2.49 2.1023 -1 10 3 4 43.15 3.25 2.0963 -4 2 1 4 43.16 1.82 2.0958 4 0 0 2 43.35 2.05 2.0874 -2 0 4 2 43.49 2.78 2.0810 1 12 2 4 44.03 2.61 2.0567 -3 10 1 4 44.26 1.34 2.0467 2 6 3 4 44.77 1.21 2.0242 1 14 1 4 44.82 1.06 2.0220 -3 6 3 4 44.83 1.05 2.0215 -4 0 2 2 44.86 1.63 2.0203 4 4 0 4 45.04 1.94 2.0127 -2 4 4 4 45.10 4.84 2.0101 -2 12 2 4 45.57 1.23 1.9905 1 10 3 4 45.91 1.68 1.9768 -2 10 3 4 45.95 1.09 1.9749 1 4 4 4 46.49 1.23 1.9535 -4 4 2 4 46.53 1.26 1.9518 3 10 1 4 47.57 1.73 1.9115 -2 14 1 4 47.73 1.25 1.9055 3 8 2 4 47.86 1.20 1.9007 0 8 4 4 48.36 1.40 1.8821 2 12 2 4 48.45 1.34 1.8790 -3 0 4 2 48.90 2.31 1.8626 3 2 3 4 49.16 1.31 1.8534 2 14 1 4 49.22 1.28 1.8512 1 16 0 4 49.64 1.08 1.8367 -4 2 3 4 49.69 1.10 1.8347 4 6 1 4 49.88 1.39 1.8284 2 0 4 2 50.01 1.03 1.8239 -3 4 4 4 50.83 2.14 1.7962 -3 12 2 4 51.19 1.22 1.7846 -3 10 3 4 51.41 1.31 1.7775 2 4 4 4 53.58 2.35 1.7104 -2 2 5 4 54.38 1.88 1.6873 -5 2 1 4 55.46 1.23 1.6569 0 18 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.