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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/12/7221223.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_7221223
loop_
_publ_author_name
'Liese, W.'
'Walker, I.'
'Dehnicke, K.'
'Straehle, J.'
_publ_section_title
;
 Darstellung, Eigenschaften und Kristallstruktur von
 Rhenium(VII)-nitridchlorid, Re N Cl4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              693
_journal_page_last               696
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Cl4 N Re'
_chemical_name_systematic        'Re N Cl4'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.09
_cell_angle_beta                 90.17
_cell_angle_gamma                89.88
_cell_formula_units_Z            2
_cell_length_a                   8.278
_cell_length_b                   8.281
_cell_length_c                   4.057
_cell_volume                     278.106
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Liese_ZNBAD2_1979_575.cif
_cod_data_source_block           Cl4N1Re1
_cod_original_cell_volume        278.1057
_cod_original_sg_symbol_Hall
;
P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_formula_sum        'Cl4 N1 Re1'
_cod_database_code               7221223
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
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
Re1 Re+7 0 0 0 1 0.0
Cl1 Cl-1 0.075 0.268 0.07 1 0.0
Cl2 Cl-1 -0.259 0.071 0.062 1 0.0
Cl3 Cl-1 0.266 -0.062 0.061 1 0.0
N1 N-3 0.013 0.003 -0.389 1 0.0
Cl4 Cl-1 -0.066 -0.26 0.06 1 0.0
