#------------------------------------------------------------------------------
#$Date: 2015-09-10 00:08:19 +0300 (Thu, 10 Sep 2015) $
#$Revision: 155801 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530663.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_1530663
loop_
_publ_author_name
'Rusakov, A.A.'
'Zhdanov, G.S.'
_publ_section_title
;
 The crystal structure and the chemical formula of titanic oxide Ti3 O5
 (Anosovite)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              411
_journal_page_last               414
_journal_volume                  77
_journal_year                    1951
_chemical_formula_sum            'O5 Ti3'
_chemical_name_systematic        'Ti3 O5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.747
_cell_length_b                   9.465
_cell_length_c                   9.715
_cell_volume                     344.546
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Rusakov_DANKAS_1951_1975.cif
_cod_data_source_block           O5Ti3
_cod_original_cell_volume        344.5459
_cod_database_code               1530663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Ti2 Ti+3 0 0.132 0.561 1 0.0
O3 O-2 0 0.304 0.062 1 0.0
O2 O-2 0 0.043 0.116 1 0.0
O1 O-2 0 0.777 0.25 1 0.0
Ti1 Ti+4 0 0.195 0.25 1 0.0
