#------------------------------------------------------------------------------
#$Date: 2015-07-13 04:06:55 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149100 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527495.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_1527495
loop_
_publ_author_name
'Hazell, A.C.'
_publ_section_title
;
 The Crystal Structure of Thallium Dibromide
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              3459
_journal_page_last               3459
_journal_volume                  1963
_journal_year                    1963
_chemical_formula_sum            'Br4 Tl2'
_chemical_name_systematic        'Tl2 Br4'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.02
_cell_length_b                   10.35
_cell_length_c                   10.45
_cell_volume                     867.423
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Hazell_JCSOA9_1963_1002.cif
_cod_data_source_block           Br4Tl2
_cod_original_cell_volume        867.4232
_cod_database_code               1527495
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,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
Br2 Br-1 0.008 0.05 0.32 1 0.0
Tl1 Tl+1 0.676 0.25 0.25 1 0.0
Tl2 Tl+3 0.25 0 0.181 1 0.0
Br1 Br-1 0.354 0.187 0.045 1 0.0
