#------------------------------------------------------------------------------
#$Date: 2016-12-12 00:03:57 +0100 (lun 12 de dic de 2016) $
#$Revision: 189055 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123985.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_4123985
loop_
_publ_author_name
'Klug, H.P.'
'Alexander, L.'
_publ_section_title
;
 The Crystal Structure of Ammonium Pentachlorozincate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1056
_journal_page_last               1064
_journal_volume                  66
_journal_year                    1944
_chemical_formula_sum            'Cl5 H12 N3 Zn'
_chemical_name_systematic        '(N H4)3 (Zn Cl4) Cl'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.74
_cell_length_b                   9.84
_cell_length_c                   12.61
_cell_volume                     1084.480
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Klug_JACSAT_1944_998.cif
_cod_data_source_block           H12Cl5N3Zn1
_cod_original_cell_volume        1084.48
_cod_original_formula_sum        'H12 Cl5 N3 Zn1'
_cod_database_code               4123985
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
Cl1 Cl-1 0.377 0.25 0.282 1 0.0 0
N1 N-3 0.424 0.25 -0.458 1 0.0 4
Cl2 Cl-1 0.034 0.25 0.483 1 0.0 0
Cl3 Cl-1 0.162 0.25 -0.229 1 0.0 0
N2 N-3 0.412 0 -0.18 1 0.0 4
Cl4 Cl-1 0.19 0.058 0.064 1 0.0 0
Zn1 Zn+2 0.314 0.25 0.107 1 0.0 0
