data_9016272
_publ_section_title
;
 The ordered structure of Ti O
 _cod_database_code 1100042
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              307
_journal_page_last               313
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'O5 Ti5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2'
_symmetry_space_group_name_H-M   'A 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                107.53
_cell_length_a                   5.855
_cell_length_b                   9.340
_cell_length_c                   4.142
_cell_volume                     215.989
_database_code_amcsd             0018233
_exptl_crystal_density_diffrn    4.911
_[local]_cod_chemical_formula_sum_orig 'Ti5 O5'
_cod_database_code               9016272
_amcsd_formula_title             'O Ti'
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
