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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/1/01/00/1010084.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_1010084
loop_
_publ_author_name
'Dickinson, R G'
_publ_section_title
;
The Crystal Structures of Potassium Chloroplatinate and of Potassium
and Ammonium Chloropalladates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2404
_journal_page_last               2411
_journal_paper_doi               10.1021/ja01432a007
_journal_volume                  44
_journal_year                    1922
_chemical_formula_structural     '(N H4)2 PD CL4'
_chemical_formula_sum            'Cl4 H8 N2 Pd'
_chemical_name_systematic        'Ammonium tetrachloropalladate'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.21
_cell_length_b                   7.21
_cell_length_c                   4.26
_cell_volume                     221.5
_exptl_crystal_density_meas      2.17
_cod_original_formula_sum        'H8 Cl4 N2 Pd'
_cod_database_code               1010084
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-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
N1 N3- 2 e 0. 0.5 0.5 1. 4 d
Pd1 Pd2+ 1 a 0. 0. 0. 1. 0 d
Cl1 Cl1- 4 j 0.23 0.23 0. 1. 0 d
H1 H1+ 8 s -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
Pd2+ 2.000
Cl1- -1.000
H1+ 1.000