#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/96/1529691.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_1529691
loop_
_publ_author_name
'Bronger, W.'
'Spangenberg, M.'
_publ_section_title
;
 Na2 Re3 S6 und K2 Re3 S6, zwei Thiorhenate mit (Re6 S8) - Clustern
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              73
_journal_page_last               79
_journal_volume                  76
_journal_year                    1980
_chemical_formula_sum            'K2 Re3 S6'
_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                 91.01
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.49
_cell_length_b                   9.67
_cell_length_c                   11.828
_cell_volume                     1885.780
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bronger_JCOMAH_1980_591.cif
_cod_data_source_block           K2Re3S6
_cod_original_cell_volume        1885.78
_cod_database_code               1529691
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
S1 S-2 0.1631 0.089 0.6693 1 0.0
Re3 Re+3 0.2078 0.3972 0.417 1 0.0
K1 K+1 0 0.395 0.25 1 0.0
K2 K+1 0 0.788 0.25 1 0.0
Re1 Re+3 0.156 0.152 0.4739 1 0.0
S6 S-2 0.3535 0.0892 0.1933 1 0.0
S3 S-2 0.3358 0.2742 0.7191 1 0.0
K3 K+1 0.3846 0.259 0.9783 1 0.0
S4 S-2 0.4168 0.1375 0.4791 1 0.0
S5 S-2 0.0293 0.9701 0.9248 1 0.0
Re2 Re+3 0.293 0.1775 0.3688 1 0.0
S2 S-2 0.2572 0.4598 0.071 1 0.0
