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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/91/1529158.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_1529158
loop_
_publ_author_name
'Pilet, G.'
'Perrin, A.'
_publ_section_title
;
 New compounds in the cesium sulfobromide rhenium octahedral
 clusterchemistry: syntheses and crystal structures of Cs4 Re6 S8 Br6 and
 Cs2 Re6 S8 Br4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              109
_journal_page_last               116
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Br4 Cs2 Re6 S8'
_chemical_name_systematic        'Cs2 (Re6 S8 Br4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.2618
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3664
_cell_length_b                   18.4483
_cell_length_c                   9.3094
_cell_volume                     1059.684
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Pilet_SSSCFJ_2004_36.cif
_cod_data_source_block           Br4Cs2Re6S8
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1529158
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
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
Re1 Re+3 0.53479 0.41827 0.89391 1 0.0
S4 S-2 0.2768 0.4739 0.6878 1 0.0
Cs1 Cs+1 0.5082 0.19024 0.05913 1 0.0
Re3 Re+3 0.48122 0.44133 0.15712 1 0.0
Re2 Re+3 0.20654 0.49417 -0.07316 1 0.0
S1 S-2 0.8113 0.4832 0.81 1 0.0
S2 S-2 0.2392 0.3664 -0.0228 1 0.0
S3 S-2 0.7897 0.3775 0.1156 1 0.0
Br2 Br-1 0.4583 0.35947 0.3715 1 0.0
Br1 Br-1 0.5792 0.30185 0.75572 1 0.0
