#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528209.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_1528209
loop_
_publ_author_name
'Willett, R.D.'
_publ_section_title
;
 Crystal structure of (N H4)2 Cu Cl4
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2243
_journal_page_last               2244
_journal_volume                  41
_journal_year                    1964
_chemical_formula_sum            'Cl4 Cu H8 N2'
_chemical_name_systematic        '(N H4)2 (Cu Cl4)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.46
_cell_length_b                   7.2
_cell_length_c                   7.2
_cell_volume                     801.446
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Willett_JCPSA6_1964_1552.cif
_cod_data_source_block           H8Cl4Cu1N2
_cod_original_cell_volume        801.4464
_cod_original_formula_sum        'H8 Cl4 Cu1 N2'
_cod_database_code               1528209
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,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
Cl1 Cl-1 0.15062 0 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
N1 N-3 0.3608 0 0 1 0.0
Cl2 Cl-1 0 0.22589 0.22605 1 0.0
