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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123951.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_4123951
loop_
_publ_author_name
'Cotton, F.A.'
'Mester, Z.C.'
'de Boer, B.G.'
_publ_section_title
;
 The chemistry of rhenium(IV) chloride. II. Structure of one of the
 polymorphs (beta) and evidence for a new polymorph (gamma)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1159
_journal_page_last               1163
_journal_volume                  95
_journal_year                    1973
_chemical_formula_sum            'Cl4 Re'
_chemical_name_systematic        'Re Cl4'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.362
_cell_length_b                   6.273
_cell_length_c                   12.165
_cell_volume                     484.757
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Cotton_JACSAT_1973_1449.cif
_cod_data_source_block           Cl4Re1
_cod_original_cell_volume        484.7573
_cod_original_formula_sum        'Cl4 Re1'
_cod_database_code               4123951
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-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
Cl3 Cl-1 0.3569 0.5683 0.3653 1 0.0
Cl4 Cl-1 0 -0.0503 0.25 1 0.0
Cl5 Cl-1 0.5 0.093 0.25 1 0.0
Cl2 Cl-1 0.1337 0.4071 0.1272 1 0.0
Re1 Re+4 0.18466 0.26727 0.31251 1 0.0
Cl1 Cl-1 0.252 0.1129 0.4787 1 0.0
