#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/36/1523633.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_1523633
loop_
_publ_author_name
'Frais, P.W.'
'Lock, C.J.L.'
_publ_section_title
;
 The preparation, physical properties, and structure of
 oxotetrachloroaquorhenium(VI), Re O Cl4 (O H2)
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              1811
_journal_page_last               1818
_journal_volume                  50
_journal_year                    1972
_chemical_formula_sum            'Cl4 H2 O2 Re'
_chemical_name_systematic        'Re O Cl4 (H2 O)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.834
_cell_length_b                   11.089
_cell_length_c                   5.517
_cell_volume                     662.803
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Frais_CJCHAG_1972_106.cif
_cod_data_source_block           H2Cl4O2Re1
_cod_original_cell_volume        662.8026
_cod_original_sg_symbol_Hall     'P 2c -2n (-x,z,y)'
_cod_original_formula_sum        'H2 Cl4 O2 Re1'
_cod_database_code               1523633
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x+1/2,y+1/2,z+1/2
x+1/2,y,-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
Cl4 Cl-1 0.2324 0.3939 0.649 1 0.0
Re1 Re+6 0.1474 0.2558 0.3936 1 0.0
Cl1 Cl-1 0.0189 0.3969 0.224 1 0.0
O1 O-2 -0.005 0.266 0.676 1 0.0
Cl3 Cl-1 0.2226 0.1072 0.645 1 0.0
O2 O-2 0.252 0.244 0.182 1 0.0
Cl2 Cl-1 0.0235 0.1083 0.233 1 0.0
