#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527682.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_1527682
loop_
_publ_author_name
'Krebs Larsen, F.'
'Berg, R.W.'
_publ_section_title
;
 A neutron diffraction study of the crystal structure of deuterated
 ammonium tetrachloropalladate(II) at low and ambient temperatures
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              375
_journal_page_last               378
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'Cl4 D8 N2 Pd'
_chemical_name_systematic        '(N D4)2 (Pd Cl4)'
_space_group_IT_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                   7.2
_cell_length_b                   7.2
_cell_length_c                   4.21
_cell_volume                     218.246
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            KrebsLarsen_ACAPCT_1977_579.cif
_cod_data_source_block           D8Cl4N2Pd1
_cod_original_cell_volume        218.2464
_cod_original_formula_sum        'D8 Cl4 N2 Pd1'
_cod_database_code               1527682
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
N1 N-3 0 0.5 0.5 1 0.0
Pd1 Pd+2 0 0 0 1 0.0
D1 D+1 0.0811 0.4194 0.3581 0.5 0.0
Cl1 Cl-1 0.2266 0.2266 0 1 0.0
