#------------------------------------------------------------------------------
#$Date: 2015-07-06 21:05:39 +0200 (lun 06 de jul de 2015) $
#$Revision: 140323 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/07/1520779.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_1520779
loop_
_publ_author_name
'Andersson, S.'
'Jahnberg, L.'
_publ_section_title
;
 Crystal structure studies on the homologous series Tin O2n-1 Vn O2n-1
 Tin-2 Cr2 O2n-1
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              413
_journal_page_last               426
_journal_volume                  21
_journal_year                    1963
_chemical_formula_sum            'O9 Ti5'
_chemical_name_systematic        'Ti5 O9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.6
_cell_angle_beta                 112.3
_cell_angle_gamma                108.5
_cell_formula_units_Z            2
_cell_length_a                   5.6
_cell_length_b                   7.12
_cell_length_c                   8.87
_cell_volume                     297.161
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Andersson_ARKEAD_1963_1374.cif
_cod_data_source_block           O9Ti5
_cod_original_cell_volume        297.1606
_cod_database_code               1520779
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O6 O-2 0.726 0.13 0.29 1 0.0
Ti4 Ti+3 0.111 0.667 0.444 1 0.0
O2 O-2 0.17 0.798 0.068 1 0.0
O4 O-2 0.898 0.5 0.204 1 0.0
O1 O-2 0.658 0.834 0.018 1 0.0
Ti2 Ti+3 0.556 0.833 0.222 1 0.0
Ti5 Ti+3 0 0 0 1 0.0
Ti1 Ti+3 0.556 0.333 0.222 1 0.0
O5 O-2 0.213 0.167 0.24 1 0.0
O7 O-2 0.941 0.871 0.376 1 0.0
O9 O-2 0.719 0.538 0.487 1 0.0
Ti3 Ti+3 0.111 0.167 0.444 1 0.0
O8 O-2 0.454 0.834 0.426 1 0.0
Ti6 Ti+3 0 0.5 0 1 0.0
O3 O-2 0.386 0.538 0.154 1 0.0
