#------------------------------------------------------------------------------
#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/60/1526012.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_1526012
loop_
_publ_author_name
'Meyer, G.'
'Nockemann, P.'
_publ_section_title
;
 Reactivity of ammonium chloride/mercuric chloride mixtures with Monel
 containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N
 H4)5 Cl2 (Cu Cl2) (Cu Cl4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              254
_journal_page_last               259
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Cl8 Cu2 H20 N5'
_chemical_name_systematic        '(N H4)5 (Cu Cl2) Cl2 (Cu Cl4)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.748
_cell_length_b                   8.748
_cell_length_c                   23.292
_cell_volume                     1782.479
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meyer_JSSCBI_2001_1728.cif
_cod_data_source_block           H20Cl8Cu2N5
_cod_original_formula_sum        'H20 Cl8 Cu2 N5'
_cod_database_code               1526012
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
_atom_site_attached_hydrogens
Cu2 Cu+2 0.5 0 0.25 1 0.0 0
N1 N-3 0.3457 0.1543 0.091 1 0.0 4
Cl2 Cl-1 0.3514 0.1486 0.31204 1 0.0 0
Cl1 Cl-1 0 0 0.09387 1 0.0 0
N2 N-3 0 0 0.25 1 0.0 4
Cu1 Cu+1 0.5 0.5 0.5 1 0.0 0
Cl3 Cl-1 0.3543 0.1457 0.5 1 0.0 0
