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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/1/53/56/1535640.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_1535640
loop_
_publ_author_name
'Troyanov, S.I.'
'Rybakov, V.B.'
'Ionov, V.M.'
_publ_section_title
;
 Synthesis and crystal structures of TiBr4,TiBr3 and Ti(AlBr4)2
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              882
_journal_page_last               887
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Al2 Br8 Ti'
_chemical_name_systematic        'Ti (Al Br4)2'
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.274
_cell_length_b                   12.801
_cell_length_c                   8.676
_cell_volume                     696.800
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1990_992.cif
_cod_data_source_block           Al2Br8Ti1
_cod_original_cell_volume        696.7997
_cod_original_formula_sum        'Al2 Br8 Ti1'
_cod_database_code               1535640
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y+1/2,z+1/2
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
Al1 Al+3 0.605 0.1865 0.001 1 0.0
Ti1 Ti+2 0 0 0 1 0.0
Br1 Br-1 0.2349 0.1796 -0.009 1 0.0
Br2 Br-1 -0.257 0.0925 0.1936 1 0.0
Br4 Br-1 0.7131 0.3541 -0.013 1 0.0
Br3 Br-1 -0.2612 0.0935 -0.2196 1 0.0
