VO_P42.cif

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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/1/53/74/1537412.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_1537412
loop_
_publ_author_name
'Hoekstra, H.R.'
'Siegel, S.'
'Gallagher, F.X.'
_publ_section_title
;
 Reaction of platinum dioxide with some metal oxides
;
_journal_name_full               'Advances in Chemistry Series'
_journal_page_first              39
_journal_page_last               53
_journal_volume                  98
_journal_year                    1971
_chemical_formula_sum            'O2 V'
_chemical_name_systematic        'V O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.517
_cell_length_b                   4.517
_cell_length_c                   2.872
_cell_volume                     58.598
_citation_journal_id_ASTM        ADCSAJ
_cod_data_source_file            Hoekstra_ADCSAJ_1971_373.cif
_cod_data_source_block           O2V1
_cod_original_cell_volume        58.59825
_cod_original_formula_sum        'O2 V1'
_cod_database_code               1537412
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,z
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 0.3 0.3 0 1 0.0
V1 V+4 0 0 0 1 0.0