TiCl4 Dawson A, Parkin A, Parsons S, Pulham C R, Young A L C Acta Crystallographica E58 (2002) i95-i97 Titanium(IV) chloride at 150 K Note: Sample at T = 150 K _database_code_amcsd 0010387 CELL PARAMETERS: 9.6700 6.4737 9.6820 90.000 102.168 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 592.483 Density (g/cm3): 2.126 MAX. ABS. INTENSITY / VOLUME**2: 6.749937902 RIR: 1.034 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.59 44.45 5.3433 0 1 1 4 16.60 26.80 5.3412 1 1 0 4 18.07 46.93 4.9085 -1 1 1 4 18.75 1.12 4.7322 0 0 2 2 18.77 50.55 4.7264 2 0 0 2 19.12 42.53 4.6413 -1 0 2 2 20.04 36.69 4.4312 1 1 1 4 22.72 34.71 3.9142 1 0 2 2 23.28 13.10 3.8204 0 1 2 4 23.60 23.01 3.7698 -2 1 1 4 26.63 12.93 3.3480 2 1 1 4 27.41 100.00 3.2541 -2 1 2 4 27.56 47.69 3.2369 0 2 0 2 29.16 3.45 3.0627 0 2 1 4 29.39 81.39 3.0391 2 0 2 2 30.05 3.60 2.9737 -1 2 1 4 30.59 6.36 2.9222 -3 0 2 2 31.16 65.00 2.8702 -1 1 3 4 31.19 58.58 2.8676 -3 1 1 4 31.31 69.84 2.8570 1 2 1 4 31.55 1.66 2.8360 0 1 3 4 31.58 4.73 2.8331 3 1 0 4 32.55 1.95 2.7511 2 1 2 4 33.56 3.41 2.6706 2 2 0 4 33.63 2.14 2.6647 -2 1 3 4 33.76 2.57 2.6550 -1 2 2 4 33.77 2.32 2.6542 -2 2 1 4 34.70 2.61 2.5849 1 1 3 4 34.73 1.86 2.5830 3 1 1 4 36.00 3.03 2.4944 1 2 2 4 36.01 3.28 2.4938 2 2 1 4 37.48 8.55 2.3997 3 0 2 2 38.03 2.34 2.3661 0 0 4 2 38.08 2.83 2.3632 4 0 0 2 38.47 1.89 2.3399 -3 1 3 4 38.80 2.93 2.3206 -2 0 4 2 39.59 4.78 2.2764 -1 2 3 4 39.61 3.47 2.2751 -3 2 1 4 39.79 5.38 2.2656 -1 1 4 4 39.83 3.55 2.2632 -4 1 1 4 40.06 3.42 2.2509 2 1 3 4 40.60 12.43 2.2223 0 1 4 4 40.64 14.89 2.2199 4 1 0 4 40.72 10.87 2.2156 2 2 2 4 41.36 3.16 2.1828 -4 1 2 4 41.62 2.13 2.1698 -2 2 3 4 42.52 2.03 2.1260 1 2 3 4 42.68 1.54 2.1186 -3 0 4 2 42.99 4.90 2.1038 1 3 0 4 43.65 2.81 2.0738 1 1 4 4 43.69 1.86 2.0720 4 1 1 4 45.02 2.58 2.0135 -3 1 4 4 45.04 1.24 2.0127 -4 1 3 4 45.75 3.01 1.9833 -3 2 3 4 46.24 4.49 1.9634 0 3 2 4 46.40 3.84 1.9571 2 0 4 2 46.93 2.04 1.9359 -4 2 1 4 46.99 3.22 1.9336 3 1 3 4 47.14 3.03 1.9277 3 2 2 4 47.90 1.09 1.8989 -5 0 2 2 48.36 25.80 1.8821 -4 0 4 2 48.63 1.30 1.8723 4 1 2 4 48.63 51.63 1.8721 -2 3 2 4 49.11 1.38 1.8551 -1 1 5 4 50.35 2.29 1.8121 4 2 1 4 51.32 2.94 1.7804 3 3 0 4 51.57 1.88 1.7721 -4 2 3 4 51.97 1.70 1.7595 2 3 2 4 52.83 2.44 1.7329 -3 1 5 4 52.87 1.06 1.7318 -5 1 3 4 53.23 23.78 1.7208 1 1 5 4 53.29 23.40 1.7191 5 1 1 4 53.34 23.92 1.7174 3 2 3 4 54.81 1.64 1.6748 2 2 4 4 55.10 1.06 1.6668 4 1 3 4 56.30 1.03 1.6340 0 2 5 4 56.56 6.65 1.6271 -4 2 4 4 56.89 3.43 1.6184 0 4 0 2 57.14 3.05 1.6120 -1 0 6 2 57.21 4.48 1.6102 -1 3 4 4 57.57 4.61 1.6010 -2 0 6 2 57.64 6.98 1.5992 -6 0 2 2 57.80 1.30 1.5953 0 4 1 4 57.83 10.45 1.5944 0 3 4 4 57.87 12.80 1.5935 4 3 0 4 58.32 1.27 1.5823 -1 4 1 4 58.42 2.95 1.5796 -4 3 2 4 58.59 2.00 1.5755 6 0 0 2 58.73 5.74 1.5722 -3 2 5 4 58.76 4.62 1.5713 -5 2 3 4 59.07 3.99 1.5639 1 4 1 4 59.13 1.30 1.5624 -6 1 1 4 59.16 1.17 1.5618 5 2 1 4 59.78 2.64 1.5471 -3 0 6 2 60.22 3.94 1.5368 1 3 4 4 60.60 1.29 1.5280 -2 4 1 4 60.97 1.77 1.5196 4 0 4 2 61.32 2.41 1.5118 -3 3 4 4 61.70 1.38 1.5034 -6 1 3 4 63.43 2.00 1.4666 -5 1 5 4 63.54 1.10 1.4642 2 2 5 4 63.69 1.16 1.4611 -6 0 4 2 64.14 1.36 1.4519 3 1 5 4 64.28 2.45 1.4492 4 3 2 4 64.51 1.23 1.4444 -1 4 3 4 64.59 1.21 1.4430 -1 2 6 4 64.99 1.11 1.4351 -2 2 6 4 65.05 1.79 1.4338 -6 2 2 4 65.32 2.22 1.4285 2 4 2 4 65.66 1.42 1.4220 5 3 0 4 65.94 1.08 1.4166 6 2 0 4 65.97 1.03 1.4160 -2 4 3 4 69.04 1.10 1.3604 -5 0 6 2 69.06 1.53 1.3601 -3 4 3 4 69.48 1.45 1.3529 5 2 3 4 69.79 1.03 1.3476 3 3 4 4 69.97 1.11 1.3445 -4 4 1 4 74.49 1.13 1.2737 7 1 1 4 74.51 1.17 1.2735 0 3 6 4 74.80 5.42 1.2693 -1 2 7 4 74.89 5.34 1.2680 -7 2 1 4 75.13 5.39 1.2645 3 4 3 4 76.71 1.03 1.2424 4 2 5 4 77.49 1.68 1.2318 -6 1 6 4 77.84 1.72 1.2271 -4 4 4 4 78.05 1.75 1.2243 -2 5 2 4 79.06 1.17 1.2112 2 1 7 4 79.34 1.34 1.2076 -5 1 7 4 79.70 1.15 1.2031 -3 4 5 4 79.92 1.59 1.2003 -1 5 3 4 79.94 1.44 1.2001 -3 5 1 4 85.18 2.20 1.1392 3 1 7 4 85.25 2.77 1.1384 7 1 3 4 85.28 2.55 1.1380 5 2 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.