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#$Date: 2010-06-10 16:46:06 +0000 (Thu, 10 Jun 2010) $
#$Revision: 1213 $
#$URL: svn://cod.ibt.lt/cod/cif/1/1009031.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_1009031
loop_
_publ_author_name
'Waser, J.'
'Levy, H. A.'
'Peterson, S. W.'
_publ_section_title
;
The structure of PdO
Locality: synthetic
;
_journal_name_full 'Acta Crystallographica'
_journal_page_first 661
_journal_page_last 663
_journal_volume 6
_journal_year 1953
_chemical_compound_source synthetic
_chemical_formula_structural 'Pd O'
_chemical_formula_sum 'O Pd'
_chemical_name_mineral Palladinite
_chemical_name_systematic 'Palladium oxide'
_symmetry_cell_setting tetragonal
_symmetry_Int_Tables_number 131
_symmetry_space_group_name_H-M 'P 42/m m c S'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 3.03(1)
_cell_length_b 3.03(1)
_cell_length_c 5.33(2)
_cell_volume 48.9
_cod_database_code 1009031
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-x,y,-z
x,-y,-z
1/2+y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
-x,-y,-z
x,y,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
x,-y,z
-x,y,z
1/2-y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+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
Pd1 Pd2+ 2 a 0. 0. 0. 1. 0 d
O1 O2- 2 f 0.5 0. 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pd2+ 2.000
O2- -2.000
_amcsd_database_code AMCSD#0009095
_exptl_crystal_density_diffrn 8.308
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