data_1529015
_publ_section_title
;
 Interstitial Superlattice of = Ti6 O = and its Transformation
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2096
_journal_page_last               2096
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'O Ti6'
_chemical_name_systematic        'Ti6 O'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.14
_cell_length_b                   5.14
_cell_length_c                   9.48
_cell_volume                     216.903
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Yamaguchi_JUPSAU_1966_421.cif
_cod_data_source_block           O1Ti6
_cod_original_cell_volume        216.9028
_cod_chemical_formula_sum_orig   'O1 Ti6'
_cod_database_code               1529015
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z+1/2
-x,-x+y,z+1/2
x-y,-y,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O 0.3333 0.6667 0 1 0.0
Ti2 Ti 0.6667 0 0.375 1 0.0
Ti1 Ti 0.3333 0 0.125 1 0.0
