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#$Date: 2015-10-08 11:08:19 +0200 (Thu 08 de Oct de 2015) $
#$Revision: 161056 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/42/4344220.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_4344220
loop_
_publ_author_name
'Cotton, F.A.'
'de Boer, B.G.'
'Jeremic, M.'
_publ_section_title
;
 Some Reactions of the Octahalodirhenate(III) Ions. VIII. Definitive
 Structural Characterization of the Octabromodirhenate(III) Ion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2143
_journal_page_last               2146
_journal_volume                  9
_journal_year                    1970
_chemical_formula_sum            'Br8 Cs2 Re2'
_chemical_name_systematic        'Cs2 Re2 Br8'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.625
_cell_length_b                   12.953
_cell_length_c                   10.141
_cell_volume                     1658.374
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Cotton_INOCAJ_1970_1063.cif
_cod_data_source_block           Br8Cs2Re2
_cod_database_code               4344220
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
Cs1 Cs+1 -0.3072 0.1359 -0.1608 1 0.0
Br3 Br-1 -0.0155 0.2189 -0.0899 1 0.0
Br1 Br-1 0.064 0.0029 0.2801 1 0.0
Re1 Re+3 0.0154 0.0704 0.06 1 0.0
Br2 Br-1 -0.1585 0.1146 0.1558 1 0.0
Br4 Br-1 0.2068 0.1052 0.0247 1 0.0
