#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/66/1536663.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_1536663
loop_
_publ_author_name
'Kirik, S.D.'
'Krapivko, A.A.'
'Kruglik, A.I.'
'Yakimov, I.S.'
_publ_section_title
;
 Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by
 the full-profile analysis technique.
;
_journal_name_full               Kristallografiya
_journal_page_first              1563
_journal_page_last               1566
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Cl2 H6 N2 Pd'
_chemical_name_systematic        '(Pd (N H3)2 Cl2)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1513
_cell_length_b                   8.1513
_cell_length_c                   7.7971
_cell_volume                     518.068
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kirik_KRISAJ_1991_1218.cif
_cod_data_source_block           H6Cl2N2Pd1
_cod_original_cell_volume        518.0682
_cod_original_formula_sum        'H6 Cl2 N2 Pd1'
_cod_database_code               1536663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
Pd1 Pd+2 0 0 0 1 0.0
Cl1 Cl-1 -0.1984 0.1984 0 0.1 0.0
Cl2 Cl-1 0.1984 0.1984 0 0.9 0.0
N1 N-3 0 0 0.2562 1 0.0
