#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/31/1523160.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_1523160
loop_
_publ_author_name
'von Schnering, H.G.'
'Collin, M.'
'Hassheider, M.'
_publ_section_title
;
 Ti O Br: Darstellung, Eigenschaften und Struktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              137
_journal_page_last               141
_journal_volume                  387
_journal_year                    1972
_chemical_formula_sum            'Br O Ti'
_chemical_name_systematic        'Ti O Br'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.787
_cell_length_b                   3.487
_cell_length_c                   8.529
_cell_volume                     112.628
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1972_519.cif
_cod_data_source_block           Br1O1Ti1
_cod_original_cell_volume        112.6277
_cod_original_formula_sum        'Br1 O1 Ti1'
_cod_database_code               1523160
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-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
Ti1 Ti+3 0.25 0.75 0.1108 1 0.0
O1 O-2 0.25 0.25 0.945 1 0.0
Br1 Br-1 0.25 0.25 0.328 1 0.0
