#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014031.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014031
loop_
_publ_author_name
'Cox, E.'
'Wardlaw, W.'
'Webster, K.'
_publ_section_title
;
 The Stereochemistry of Quadricovalent Atoms: Copper and Silver
 _cod_database_code 1010482
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              775
_journal_page_last               781
_journal_volume                  1936
_journal_year                    1936
_chemical_formula_sum            'C8 Cl Cu N4 S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.43
_cell_length_b                   12.43
_cell_length_c                   5.52
_cell_volume                     852.867
_database_code_amcsd             0017398
_exptl_crystal_density_diffrn    1.477
_cod_original_formula_sum        'S4 C8 N4 Cl Cu'
_cod_database_code               9014031
_amcsd_formula_title             'Cl Cu H20 N4 S4'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 0.10600 0.08800 0.21900
C1 0.10000 0.21600 0.25600
C2 0.17700 0.28500 0.41500
N1 0.01600 0.28500 0.13800
Cl1 0.00000 0.50000 0.25000
Cu1 0.00000 0.00000 0.00000