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#$Date: 2015-07-08 18:10:17 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141215 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123935.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_4123935
loop_
_publ_author_name
'Long, J.R.'
'McCarty, L.S.'
'Holm, R.H.'
_publ_section_title
;
 A solid-state route to molecular clusters: access to the solution
 chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via
 dimensional reduction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4603
_journal_page_last               4616
_journal_volume                  118
_journal_year                    1996
_chemical_formula_sum            'Cs6 I8 Re6 S8'
_chemical_name_systematic        'Cs6 ((Re I)6 S8) I2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.842
_cell_length_b                   15.842
_cell_length_c                   15.842
_cell_volume                     3975.850
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Long_JACSAT_1996_247.cif
_cod_data_source_block           Cs6I8Re6S8
_cod_original_cell_volume        3975.85
_cod_database_code               4123935
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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 0.3927 0.3927 0.3927 1 0.0
I1 I-1 0 0.2082 0 1 0.0
Re1 Re+3 0 0.3836 0 1 0.0
Cs1 Cs+1 0 0.25 0.25 1 0.0
I2 I-1 0.25 0.25 0.25 1 0.0
