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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/1/53/56/1535636.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_1535636
loop_
_publ_author_name
'Troyanov, S.I.'
'Ionov, V.M.'
'Rybakov, V.B.'
_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            'Br3 Ti'
_chemical_name_systematic        'Ti Br3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.478
_cell_length_b                   6.478
_cell_length_c                   18.632
_cell_volume                     677.130
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1990_991.cif
_cod_data_source_block           Br3Ti1
_cod_original_cell_volume        677.1299
_cod_original_formula_sum        'Br3 Ti1'
_cod_database_code               1535636
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Br1 Br-1 0.6524 0.0006 0.0797 1 0.0
Ti1 Ti+3 0 0 0.3336 1 0.0
