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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/57/1535702.cif $
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#
# 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_1535702
loop_
_publ_author_name
'Troyanov, S.I.'
'Pisarevskii, A.P.'
'Snigireva, E.M.'
'Struchkov, Yu.T.'
'Yanovskii, A.I.'
_publ_section_title
;
 Crystal structure of alpha - TiBr3 low temperature modification
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              374
_journal_page_last               377
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'Br3 Ti'
_chemical_name_systematic        'Ti Br3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                63.73
_cell_angle_beta                 63.81
_cell_angle_gamma                60.12
_cell_formula_units_Z            2
_cell_length_a                   6.424
_cell_length_b                   6.438
_cell_length_c                   7.236
_cell_volume                     223.099
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1994_1411.cif
_cod_data_source_block           Br3Ti1
_cod_original_cell_volume        223.0994
_cod_original_formula_sum        'Br3 Ti1'
_cod_database_code               1535702
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
Br3 Br-1 0.0811 0.9236 -0.2417 1 0.0
Br1 Br-1 0.2616 0.4197 0.2432 1 0.0
Ti1 Ti+3 0.337 0.8255 -0.0014 1 0.0
Br2 Br-1 0.5758 0.7632 0.2417 1 0.0
