data_global _amcsd_formula_title 'O11 Ti6' loop_ _publ_author_name 'le Page Y' 'Strobel P' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 47 _journal_year 1983 _journal_page_first 6 _journal_page_last 15 _publ_section_title ; 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 _chemical_formula_sum 'Ti6 O11' _cell_length_a 7.517 _cell_length_b 11.986 _cell_length_c 13.397 _cell_angle_alpha 98.29 _cell_angle_beta 105.52 _cell_angle_gamma 107.79 _cell_volume 1073.322 _exptl_crystal_density_diffrn 4.300 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ti1 0.13727 0.02810 0.94161 Ti2 0.42566 0.08682 0.83037 Ti3 0.29914 0.87112 0.30832 Ti4 0.36417 0.80428 0.89146 Ti5 0.07259 0.74813 0.00701 Ti6 0.19372 0.30203 0.86303 Ti7 0.13500 0.35851 0.27662 Ti8 0.43417 0.41556 0.16243 Ti9 0.30186 0.52800 0.97175 Ti10 0.36228 0.47360 0.55788 Ti11 0.07015 0.41260 0.67031 Ti12 0.19846 0.62583 0.19053 Ti13 0.14076 0.69396 0.61097 Ti14 0.43219 0.75229 0.49713 Ti15 0.30548 0.20666 0.64345 Ti16 0.35060 0.13546 0.22563 Ti17 0.06690 0.07884 0.34509 Ti18 0.19441 0.96193 0.53274 O1 0.08380 0.71340 0.86460 O2 0.19930 0.36500 0.01530 O3 0.36100 0.10460 0.08070 O4 0.35830 0.83760 0.03910 O5 0.09710 0.77480 0.16650 O6 0.01750 0.89120 0.00110 O7 0.26800 0.16500 0.88360 O8 0.45570 0.76680 0.23490 O9 0.30330 0.95400 0.87690 O10 0.42500 0.98720 0.24590 O11 0.17160 0.94270 0.37570 O12 0.07760 0.37840 0.53040 O13 0.20210 0.69890 0.34190 O14 0.35740 0.43690 0.41000 O15 0.35670 0.50630 0.70850 O16 0.08720 0.44120 0.83020 O17 0.01630 0.55740 0.66750 O18 0.26480 0.49700 0.21370 O19 0.46040 0.44100 0.90180 O20 0.30150 0.28580 0.20990 O21 0.42710 0.65800 0.91130 O22 0.16910 0.61070 0.04550 O23 0.08000 0.04590 0.19430 O24 0.21430 0.04160 0.68250 O25 0.36220 0.77320 0.74660 O26 0.36190 0.17370 0.37460 O27 0.10470 0.10920 0.50440 O28 0.01640 0.22560 0.33310 O29 0.22640 0.82760 0.54630 O30 0.46640 0.10840 0.57280 O31 0.30080 0.61890 0.54060 O32 0.42570 0.32290 0.57920 O33 0.17110 0.27770 0.70870