data_99808-ICSD
#©2006 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                99808
_audit_creation_date               2005/04/01
_chemical_name_systematic          'Vanadium Oxide'
_chemical_formula_structural       'V2 O5'
_chemical_formula_sum              'O5 V2'
_publ_section_title
;
X-ray absorption and X-ray diffraction studies on molybdenum doped 
vanadium pentoxide
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Chemistry Chemical Physics' 2003 5 4317 4324 PPCPFQ
loop_
_publ_author_name
'Haas, F.'
'Adams, A.H.'
'Buhrmester, T.'
'Schimanke, G.'
'Martin, M.'
'Fuess, H.'
_cell_length_a                     11.5219(5)
_cell_length_b                     3.5667(1)
_cell_length_c                     4.3751(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       179.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P m m n Z'
_symmetry_Int_Tables_number        59
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, y+1/2, -z'
  2	'-x, y+1/2, -z'
  3	'x+1/2, -y, -z'
  4	'-x, -y, -z'
  5	'-x+1/2, -y+1/2, z'
  6	'x, -y+1/2, z'
  7	'-x+1/2, y, z'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2-   	-2
V5+   	5
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
V1 V5+ 4 f 0.1010(5) 0.250 0.8967(14) 1. 0 
O1 O2- 4 f 0.1077(14) 0.250 0.5333(41) 1. 0 
O2 O2- 4 f -0.0703(11) 0.250 -0.0016(33) 1. 0 
O3 O2- 2 a 0.250 0.250 -0.0080(51) 1. 0 

#End of data_99808-ICSD


