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_paper_doi               10.1107/S0365110X53001800
_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'
_space_group_IT_number           131
_space_group_name_Hall           '-P 4c 2 (x,y+1/2,z)'
_space_group_name_H-M_alt        'P 42/m m c (a,b+1/2,c)'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      131
_symmetry_space_group_name_H-M   'P 42/m m c (a,b+1/2,c)'
_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
_exptl_crystal_density_diffrn    8.308
_cod_original_sg_symbol_H-M      'P 42/m m c S'
_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 66602
