#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124668.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_4124668
loop_
_publ_author_name
'Moore, W.J.'
'Pauling, L.'
_publ_section_title
;
 The crystal structures of the tetragonal monoxides of lead, tin,
 palladium, and platinum
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1392
_journal_page_last               1394
_journal_volume                  63
_journal_year                    1941
_chemical_formula_sum            'O Pd'
_chemical_name_systematic        'Pd O'
_space_group_IT_number           131
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.02
_cell_length_b                   3.02
_cell_length_c                   5.31
_cell_volume                     48.429
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Moore_JACSAT_1941_1445.cif
_cod_data_source_block           O1Pd1
_cod_original_cell_volume        48.42932
_cod_original_formula_sum        'O1 Pd1'
_cod_database_code               4124668
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z+1/2
-x,-y,z
y,-x,z+1/2
x,-y,-z
y,x,-z+1/2
-x,y,-z
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z-1/2
x,y,-z
-y,x,-z-1/2
-x,y,z
-y,-x,z-1/2
x,-y,z
y,x,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
O1 O-2 0 0 0.25 1 0.0
Pd1 Pd+2 0.5 0 0 1 0.0
