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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/1/53/08/1530870.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_1530870
loop_
_publ_author_name
'Theobald, F.R.'
'Bernard, J.'
'Cabala, R.'
_publ_section_title
;
 Essai sur la structure de V O2 (B)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              431
_journal_page_last               438
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'O2 V'
_chemical_name_systematic        'V O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.1
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.03
_cell_length_b                   3.693
_cell_length_c                   6.42
_cell_volume                     274.033
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Theobald_JSSCBI_1976_93.cif
_cod_data_source_block           O2V1
_cod_original_cell_volume        274.0334
_cod_original_formula_sum        'O2 V1'
_cod_database_code               1530870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
V1 V+4 0.305 0.5 0.725 1 0.0
O4 O-2 0.142 0.5 0.729 1 0.0
O1 O-2 0.363 0.5 0.991 1 0.0
O3 O-2 0.434 0.5 0.595 1 0.0
O2 O-2 0.238 0.5 0.373 1 0.0
V2 V+4 0.402 0.5 0.3 1 0.0
