#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/96/1529694.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_1529694
loop_
_publ_author_name
'Bronger, W.'
'Miessen, H.J.'
_publ_section_title
;
 Synthesis and crystal structures of Ba2 Re6 S11 and Sr2 Re6 S11,
 compounds containing (Re6 S8) clusters
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              29
_journal_page_last               38
_journal_volume                  83
_journal_year                    1982
_chemical_formula_sum            'Ba2 Re6 S11'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.86
_cell_length_b                   9.158
_cell_length_c                   11.916
_cell_volume                     1551.326
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bronger_JCOMAH_1982_728.cif
_cod_data_source_block           Ba2Re6S11
_cod_database_code               1529694
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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 0.295 0.0865 0.1013 1 0.0
S5 S-2 0.8673 0.3833 0.2496 1 0.0
S2 S-2 0.1394 0.0676 0.0902 1 0.0
S6 S-2 0.5 0.485 0.25 1 0.0
Ba1 Ba+2 0.0621 0.2499 0.4362 1 0.0
S1 S-2 0.3409 0.2504 0.2722 1 0.0
S3 S-2 0.5582 0.1297 0.4092 1 0.0
Re3 Re+3 0.3599 0.3485 0.1013 1 0.0
S4 S-2 0.2407 0.0525 0.4094 1 0.0
Re2 Re+3 0.8036 0.3149 0.3988 1 0.0
