data_global _amcsd_formula_title 'O Ti' loop_ _publ_author_name 'Watanabe D' 'Castles J' 'Jostsons A' 'Malin A' _journal_name_full 'Acta Crystallographica' _journal_volume 23 _journal_year 1967 _journal_page_first 307 _journal_page_last 313 _publ_section_title ; The ordered structure of Ti O _cod_database_code 1100042 ; _database_code_amcsd 0018233 _chemical_formula_sum 'Ti5 O5' _cell_length_a 5.855 _cell_length_b 9.340 _cell_length_c 4.142 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 107.53 _cell_volume 215.989 _exptl_crystal_density_diffrn 4.911 _symmetry_space_group_name_H-M 'A 1 1 2/m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' 'x,y,-z' 'x,1/2+y,1/2-z' '-x,-y,z' '-x,1/2-y,1/2+z' '-x,-y,-z' '-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ti1 0.50000 0.00000 0.00000 Ti2 0.16400 0.33600 0.00000 Ti3 0.66660 0.34000 0.00000 O1 0.32400 0.18100 0.00000 O2 0.81900 0.16500 0.00000 O3 0.00000 0.50000 0.00000