#------------------------------------------------------------------------------
#$Date: 2015-10-07 14:50:16 +0300 (Wed, 07 Oct 2015) $
#$Revision: 160676 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310725.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310725
loop_
_publ_author_name
'Asbrink, S.'
'Magneli, A.'
_publ_section_title
;
 Crystal structure studies on trititanium pentoxide, Ti3 O5
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              575
_journal_page_last               581
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'O5 Ti3'
_chemical_name_systematic        'Ti3 O5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.752
_cell_length_b                   3.802
_cell_length_c                   9.442
_cell_volume                     349.885
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Asbrink_ACCRA9_1959_1368.cif
_cod_data_source_block           O5Ti3
_cod_original_cell_volume        349.8855
_cod_database_code               2310725
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O4 O-2 0.953 0 0.158 1 0.0
O5 O-2 0.866 0 0.441 1 0.0
Ti3 Ti+3 0.0538 0 0.3659 1 0.0
O2 O-2 0.241 0 0.245 1 0.0
Ti2 Ti+3 0.7786 0 0.2669 1 0.0
Ti1 Ti+3 0.128 0 0.044 1 0.0
O3 O-2 0.588 0 0.345 1 0.0
O1 O-2 0.676 0 0.06 1 0.0
