#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010376.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_1010376
loop_
_publ_author_name
'Brasseur, H'
'Pauling, L'
_publ_section_title
;
The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2886
_journal_page_last               2890
_journal_paper_doi               10.1021/ja01279a016
_journal_volume                  60
_journal_year                    1938
_chemical_formula_structural     'N H4 Cd Cl3'
_chemical_formula_sum            'Cd Cl3 H4 N'
_chemical_name_systematic        'Ammonium trichlorocadmate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.96(2)
_cell_length_b                   14.87(3)
_cell_length_c                   3.97(1)
_cell_volume                     528.9
_exptl_crystal_density_meas      2.93
_[local]_cod_chemical_formula_sum_orig 'H4 Cd Cl3 N'
_cod_database_code               1010376
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Cd1 Cd2+ 4 c 0.165 0.054 0.25 1. 0 d
Cl1 Cl1- 4 c 0.284 0.215 0.25 1. 0 d
Cl2 Cl1- 4 c 0.167 0.496 0.25 1. 0 d
Cl3 Cl1- 4 c 0.026 0.898 0.25 1. 0 d
N1 N3- 4 c 0.43 0.82 0.25 1. 4 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cd2+ 2.000
Cl1- -1.000
N3- -3.000
H1+ 1.000