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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/41/1004132.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_1004132
loop_
_publ_author_name
'Tancret, N'
'Obbade, S'
'Bettahar, N'
'Abraham, F'
_publ_section_title
;
Synthesis and ab initio structure determination from powder X-ray
diffraction data of a new metallic mixed-valence platinum-lead oxide Pb
Pt2 O4
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              309
_journal_page_last               318
_journal_paper_doi               10.1006/jssc.1996.0242
_journal_volume                  124
_journal_year                    1996
_chemical_formula_structural     'Pb Pt2 O4'
_chemical_formula_sum            'O4 Pb Pt2'
_chemical_name_systematic        'Lead diplatinum tetraoxide'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.178(2)
_cell_angle_beta                 108.803(2)
_cell_angle_gamma                115.241(2)
_cell_formula_units_Z            2
_cell_length_a                   6.1161(2)
_cell_length_b                   6.6504(2)
_cell_length_c                   5.5502(2)
_cell_volume                     184.0
_refine_ls_R_factor_all          0.018
_cod_database_code               1004132
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Pb1 Pb2+ 2 i 0.7500(5) 0.8609(4) 0.1430(5) 1. 0 d
Pt1 Pt3+ 1 g 0. 0.5 0.5 1. 0 d
Pt2 Pt2+ 1 f 0.5 0. 0.5 1. 0 d
Pt3 Pt3+ 1 c 0. 0.5 0. 1. 0 d
Pt4 Pt4+ 1 h 0.5 0.5 0.5 1. 0 d
O1 O2- 2 i 0.598(6) 0.282(5) 0.350(5) 1. 0 d
O2 O2- 2 i 0.336(6) 0.500(5) 0.120(6) 1. 0 d
O3 O2- 2 i 0.163(6) 0.850(5) 0.176(6) 1. 0 d
O4 O2- 2 i 0.127(6) 0.274(5) 0.481(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Pt3+ 3.000
Pt2+ 2.000
Pt4+ 4.000
O2- -2.000
