O11 Ti6 le Page Y, Strobel P Journal of Solid State Chemistry 47 (1983) 6-15 Structural Chemistry of Magneli Phases TinO2n-1 (4<=n<=9). III.Valence Ordering of Titanium in Ti6 O11 at 130K _cod_database_code 1008201 _database_code_amcsd 0016137 CELL PARAMETERS: 7.5170 11.9860 13.3970 98.290 105.520 107.790 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1073.322 Density (g/cm3): 4.299 MAX. ABS. INTENSITY / VOLUME**2: 11.32894004 RIR: 0.858 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.28 3.61 9.5334 0 -1 1 2 17.16 4.38 5.1676 -1 1 2 2 17.95 10.28 4.9406 -1 2 1 2 18.61 2.81 4.7667 0 -2 2 2 21.01 1.96 4.2282 -1 0 3 2 22.93 55.87 3.8781 -1 3 0 2 26.39 3.04 3.3774 2 0 0 2 26.45 79.11 3.3695 1 1 2 2 27.49 6.46 3.2444 2 -1 1 2 27.53 16.49 3.2399 1 2 1 2 27.70 3.82 3.2203 -1 -1 4 2 28.08 1.91 3.1778 0 -3 3 2 28.55 6.56 3.1260 -2 -1 1 2 28.63 80.56 3.1174 1 0 3 2 30.18 100.00 2.9614 1 -4 1 2 31.55 8.23 2.8359 2 -2 2 2 31.56 4.89 2.8346 1 3 0 2 33.41 30.28 2.6821 -2 -2 2 2 33.50 1.92 2.6753 1 -1 4 2 34.24 8.81 2.6187 -2 3 3 2 34.72 42.62 2.5838 -2 2 4 2 35.80 42.92 2.5085 -1 -2 5 2 36.15 1.80 2.4845 -3 2 1 2 36.17 40.09 2.4833 -3 1 2 2 36.31 1.58 2.4740 0 2 4 2 36.37 2.40 2.4703 -2 4 2 2 37.70 1.13 2.3860 -1 -4 1 2 37.71 20.43 2.3857 2 -3 3 2 37.71 10.90 2.3853 -2 1 5 2 38.57 2.71 2.3341 1 -5 2 2 38.65 1.51 2.3293 -3 0 3 2 38.71 9.42 2.3262 0 4 2 2 38.80 3.41 2.3206 0 1 5 2 40.09 19.83 2.2491 -2 -3 3 2 40.64 16.82 2.2198 -3 3 3 2 40.75 1.19 2.2145 -2 5 1 2 40.85 17.32 2.2089 -1 0 6 2 40.89 16.64 2.2070 -1 -4 4 2 41.76 15.79 2.1629 -3 -1 1 2 42.06 11.88 2.1484 2 -5 2 2 43.11 10.20 2.0983 2 -1 4 2 43.40 4.84 2.0852 0 0 6 2 43.98 1.03 2.0588 1 2 4 2 45.23 1.24 2.0046 -1 -5 2 2 45.25 2.06 2.0038 2 -4 4 2 46.12 1.13 1.9681 -1 6 0 2 46.85 1.21 1.9390 -2 6 0 2 47.70 1.99 1.9067 0 -5 5 2 47.70 1.14 1.9066 1 -6 3 2 48.00 1.89 1.8953 -2 -4 4 2 48.09 1.06 1.8919 1 -3 6 2 49.62 7.01 1.8371 0 -1 7 2 52.16 1.53 1.7536 3 0 3 2 53.10 25.69 1.7248 -3 5 4 2 53.71 31.55 1.7065 -1 2 7 2 53.77 30.60 1.7048 -1 -6 3 2 54.27 25.39 1.6902 2 -7 1 2 54.33 2.37 1.6887 4 0 0 2 54.46 1.17 1.6848 2 2 4 2 54.63 17.15 1.6799 4 -1 1 2 54.66 23.83 1.6792 -4 5 1 2 54.92 30.03 1.6719 3 3 0 2 55.82 2.36 1.6469 -3 6 3 2 55.97 1.23 1.6429 -3 2 7 2 56.01 31.44 1.6419 2 1 5 2 56.93 2.28 1.6175 1 -4 7 2 56.98 1.15 1.6163 -3 -3 6 2 57.12 10.99 1.6124 0 -2 8 2 58.05 16.28 1.5889 0 -6 6 2 60.42 2.15 1.5322 -3 1 8 2 62.75 2.95 1.4807 2 -8 2 2 63.15 2.76 1.4722 1 4 5 2 63.54 26.67 1.4642 -4 -1 7 2 64.31 1.49 1.4486 -5 3 0 2 64.51 3.62 1.4445 1 5 4 2 65.37 7.21 1.4276 3 -3 6 2 65.42 9.40 1.4266 3 -7 4 2 65.54 3.09 1.4243 -3 -4 7 2 65.67 9.44 1.4217 -1 8 1 2 65.90 3.47 1.4173 2 6 0 2 66.32 5.57 1.4094 -3 0 9 2 66.59 18.21 1.4043 1 -5 8 2 67.31 14.54 1.3911 5 -4 1 2 67.49 1.19 1.3879 1 6 3 2 67.80 2.05 1.3822 -2 5 7 2 68.29 10.73 1.3734 -2 6 6 2 68.71 7.78 1.3661 -5 3 6 2 68.71 5.72 1.3661 -5 -1 4 2 70.59 1.21 1.3342 -3 7 5 2 71.56 1.02 1.3185 -1 -8 2 2 71.83 2.36 1.3142 5 -5 2 2 72.56 7.03 1.3028 -2 -7 1 2 72.92 1.09 1.2973 3 5 1 2 73.54 2.11 1.2879 -3 -1 10 2 73.73 1.38 1.2849 -5 -2 5 2 75.11 3.25 1.2648 -3 -5 8 2 75.85 2.78 1.2542 -2 -4 10 2 76.16 1.08 1.2499 -4 3 9 2 76.76 1.58 1.2417 -6 2 4 2 77.10 1.09 1.2370 0 4 8 2 77.72 1.75 1.2287 -4 -5 5 2 79.44 1.59 1.2064 0 3 9 2 80.47 1.11 1.1935 1 -1 10 2 80.52 1.47 1.1929 4 -6 6 2 81.96 1.37 1.1756 4 3 3 2 82.02 2.96 1.1748 -4 9 3 2 83.03 6.21 1.1631 0 8 4 2 85.49 1.60 1.1358 -5 9 0 2 85.63 2.65 1.1343 0 -10 4 2 87.99 3.18 1.1099 -6 6 6 2 88.22 1.14 1.1076 3 2 7 2 88.63 4.79 1.1035 -2 -8 8 2 89.45 1.49 1.0955 -6 7 5 2 89.81 1.28 1.0921 4 -7 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.