#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530607.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_1530607
loop_
_publ_author_name
'Porai-Koshits, M.A.'
_publ_section_title
;
 About the crystal structure of potassium tetranitropalladate
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              603
_journal_page_last               605
_journal_volume                  58
_journal_year                    1947
_chemical_formula_sum            'K2 N4 O8 Pd'
_chemical_name_systematic        'K2 (Pd (N O2)4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.57
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.82
_cell_length_b                   12.82
_cell_length_c                   9.44
_cell_volume                     940.168
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Porai-Koshits_DANKAS_1947_1973.cif
_cod_data_source_block           K2N4O8Pd1
_cod_original_cell_volume        940.1675
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'K2 N4 O8 Pd1'
_cod_database_code               1530607
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,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
O5 O-2 -0.326 0.066 0.392 1 0.0
O2 O-2 0.013 0.199 -0.104 1 0.0
N2 N+3 0.234 -0.08 0 1 0.0
O3 O-2 0.338 -0.048 0.084 1 0.0
N4 N+3 0.012 0.147 0.41 1 0.0
O7 O-2 -0.057 0.208 0.46 1 0.0
N3 N+3 -0.268 -0.009 0.456 1 0.0
Pd1 Pd+2 0 0 0 1 0.0
O1 O-2 0.25 0.119 -0.104 1 0.0
N1 N+3 0.109 0.132 -0.087 1 0.0
K1 K+1 0.416 0.16 0.18 1 0.0
Pd2 Pd+2 0 0 0.5 1 0.0
O6 O-2 -0.326 -0.09 0.509 1 0.0
O8 O-2 0.086 0.144 0.304 1 0.0
K2 K+1 0.155 0.335 0.659 1 0.0
O4 O-2 0.226 -0.145 -0.084 1 0.0
