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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010002.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_1010002
loop_
_publ_author_name
'MacGillavry, C H'
'Nijveld, H'
'Dierdorp, S'
'Karsten, J'
_publ_section_title
;
Die Krystallstruktur von N H~4~ Cd Cl~3~ und Rb Cd Cl~3~
;
_journal_coden_ASTM              RTCPA3
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              193
_journal_page_last               200
_journal_volume                  58
_journal_year                    1939
_chemical_formula_structural     'N H4 Cd Cl3'
_chemical_formula_sum            'Cd Cl3 H4 N'
_chemical_name_systematic        'Ammonium cadmium chloride'
_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                   9.
_cell_length_b                   14.9
_cell_length_c                   3.96
_cell_volume                     531.0
_exptl_crystal_density_meas      2.8
_cod_original_formula_sum        'H4 Cd Cl3 N'
_cod_database_code               1010002
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 0.1639 0.0569 0.75 1. 0 d
Cl1 Cl1- 4 c 0.2861 0.2153 0.75 1. 0 d
Cl2 Cl1- 4 c -0.0208 0.1014 0.25 1. 0 d
Cl3 Cl1- 4 c 0.3278 -0.0056 0.25 1. 0 d
N1 N3- 4 c 0.075 0.3278 0.25 1. 0 d
H1 H1+ 8 d -1. -1. -1. 2. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cd2+ 2.000
Cl1- -1.000
N3- -3.000
H1+ 1.000