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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529954.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_1529954
loop_
_publ_author_name
'Fykin, L.E.'
'Vavilova, V.V.'
'Kornilov, I.I.'
'Solov'ev, S.P.'
'Ozerov, R.P.'
_publ_section_title
;
 Neutrondiffraction investigation of phases in system titanium oxygen
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              96
_journal_page_last               99
_journal_volume                  191
_journal_year                    1970
_chemical_formula_sum            'O Ti3'
_chemical_name_systematic        'Ti3 O'
_space_group_IT_number           163
_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            4
_cell_length_a                   5.15
_cell_length_b                   5.15
_cell_length_c                   9.56
_cell_volume                     219.585
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Fykin_DANKAS_1970_356.cif
_cod_data_source_block           O1Ti3
_cod_original_cell_volume        219.5852
_cod_original_formula_sum        'O1 Ti3'
_cod_database_code               1529954
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
-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 0.6666 0.3333 0.25 1 0.0
O2 O 0 0 0.25 1 0.0
Ti1 Ti 0.3333 0 0.118 1 0.0
