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#$Date: 2015-07-13 02:49:55 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148722 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343759.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_4343759
loop_
_publ_author_name
'Cotton, F.A.'
'Mague, J.T.'
_publ_section_title
;
 The existence of the Re3 Cl9 cluster in anhydrous rhenium(III) chloride
 and its persistence in solutions of rhenium(III) chloride
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  3
_journal_year                    1964
_chemical_formula_sum            'Cl9 Re3'
_chemical_name_systematic        'Re3 Cl9'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.33
_cell_length_b                   10.33
_cell_length_c                   20.36
_cell_volume                     1881.521
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Cotton_INOCAJ_1964_997.cif
_cod_data_source_block           Cl9Re3
_cod_database_code               4343759
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Cl3 Cl-1 0.4918 -0.0164 0.388 1 0.0
Cl1 Cl-1 0.2292 -0.2292 0.2769 1 0.0
Cl2 Cl-1 0.2376 -0.2376 0.5045 1 0.0
Re1 Re+3 0.253 -0.253 0.3929 1 0.0