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#$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $
#$Revision: 303120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/47/1534781.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1534781
loop_
_publ_author_name
'Seki, H.'
'Ishizawa, N.'
'Mizutani, N.'
'Kato, M.'
_publ_section_title
;
 High Temperature Structures of the Rutile-Type Oxides, TiO₂ and SnO₂
;
_journal_issue                   1064
_journal_name_full               'Journal of the Ceramic Association, Japan'
_journal_page_first              219
_journal_page_last               223
_journal_paper_doi               10.2109/jcersj1950.92.1064_219
_journal_volume                  92
_journal_year                    1984
_chemical_formula_sum            'O2 Ti'
_chemical_name_systematic        'Ti O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6107
_cell_length_b                   4.6107
_cell_length_c                   2.9732
_cell_volume                     63.206
_citation_journal_id_ASTM        YGKSA4
_cod_data_source_file            Seki_YGKSA4_1984_941.cif
_cod_data_source_block           O2Ti1
_cod_original_cell_volume        63.20594
_cod_original_formula_sum        'O2 Ti1'
_cod_database_code               1534781
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,z
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-2 0.3053 0.3053 0 1 0.0
Ti1 Ti+4 0 0 0 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ROD 3500024
2 ROD 3500211
3 ROD 3500262
