data_global _amcsd_formula_title 'O13 Ti7' 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 1008196 ; _database_code_amcsd 0016132 _chemical_formula_sum 'Ti7 O13' _cell_length_a 5.537 _cell_length_b 7.132 _cell_length_c 38.151 _cell_angle_alpha 66.70 _cell_angle_beta 57.12 _cell_angle_gamma 108.50 _cell_volume 841.352 _exptl_crystal_density_diffrn 4.288 _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 0.02289 0.01798 0.07288 Ti3 0.05373 0.05037 0.14620 Ti4 0.09013 0.04081 0.22389 Ti5 0.00000 0.50000 0.00000 Ti6 0.02534 0.51812 0.07388 Ti7 0.04851 0.54356 0.14797 Ti8 0.09374 0.54566 0.22168 O1 -0.01630 0.68830 0.02573 O2 -0.01010 0.69930 0.10149 O3 -0.07360 0.67420 0.18849 O4 0.03060 0.32270 0.04987 O5 0.05940 0.34020 0.12404 O6 0.03360 0.31550 0.20471 O7 0.60020 0.80980 0.00662 O8 0.61470 0.82550 0.08371 O9 0.64110 0.84410 0.15710 O10 0.62190 0.84180 0.23535 O11 0.40610 0.19270 0.07037 O12 0.41580 0.19260 0.14683 O13 0.44480 0.18160 0.22180