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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530994.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_1530994
loop_
_publ_author_name
'Wellmann, B.'
'Liebau, F.'
_publ_section_title
;
 The crystal structure of platinum(IV) diphosphate
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              31
_journal_page_last               39
_journal_volume                  77
_journal_year                    1981
_chemical_formula_sum            'O7 P2 Pt'
_chemical_name_systematic        'Pt P2 O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.095
_cell_length_b                   7.883
_cell_length_c                   9.302
_cell_volume                     484.490
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Wellmann_JCOMAH_1981_604.cif
_cod_data_source_block           O7P2Pt1
_cod_original_cell_volume        484.4902
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'O7 P2 Pt1'
_cod_database_code               1530994
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,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
O5 O-2 0.9014 0.1903 0.8448 1 0.0
O7 O-2 0.5332 0.1338 0.685 1 0.0
O1 O-2 0.3217 0.399 0.6013 1 0.0
O6 O-2 0.7375 0.3574 0.6204 1 0.0
O3 O-2 0.1825 0.1378 0.6678 1 0.0
Pt2 Pt+4 0.5 0.5 0 1 0.0
Pt1 Pt+4 0 0 0 1 0.0
O2 O-2 0.4265 0.286 0.8751 1 0.0
P2 P+5 0.3612 0.2477 0.7081 1 0.0
P1 P+5 0.747 0.1779 0.6796 1 0.0
O4 O-2 0.7776 0.0402 0.5748 1 0.0
