data_global _amcsd_formula_title 'O17 Ti9' loop_ _publ_author_name 'le Page Y' 'Strobel P' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 44 _journal_year 1982 _journal_page_first 273 _journal_page_last 281 _publ_section_title ; Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9 _cod_database_code 1008198 ; _database_code_amcsd 0016134 _chemical_formula_sum 'Ti9 O17' _cell_length_a 5.524 _cell_length_b 7.142 _cell_length_c 50.03 _cell_angle_alpha 66.41 _cell_angle_beta 57.20 _cell_angle_gamma 108.53 _cell_volume 1094.730 _exptl_crystal_density_diffrn 4.265 _symmetry_space_group_name_H-M 'I -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ti1 0.00000 0.00000 0.00000 Ti2 0.01284 0.01106 0.05734 Ti3 0.03725 0.02811 0.11355 Ti4 0.06027 0.05701 0.17015 Ti5 0.09266 0.04166 0.22984 Ti6 0.00000 0.50000 0.00000 Ti7 0.02191 0.51380 0.05708 Ti8 0.03915 0.52960 0.11429 Ti9 0.05638 0.54882 0.17160 Ti10 0.09580 0.54775 0.22811 O1 0.99560 0.69378 0.01865 O2 0.99960 0.70035 0.07726 O3 0.00260 0.70937 0.13528 O4 0.92920 0.67779 0.20287 O5 0.01440 0.31481 0.03964 O6 0.03690 0.33014 0.09674 O7 0.06550 0.34573 0.15317 O8 0.03660 0.31665 0.21516 O9 0.60690 0.80771 0.00511 O10 0.61800 0.81943 0.06302 O11 0.62830 0.83343 0.12169 O12 0.64560 0.84786 0.17851 O13 0.62260 0.84322 0.23860 O14 0.40570 0.20318 0.05274 O15 0.41480 0.20198 0.11185 O16 0.42250 0.19848 0.17058 O17 0.44790 0.18366 0.22803