#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011291.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_1011291
_chemical_name_systematic          'Vanadium oxide'
_chemical_name_mineral             'Shcherbianite'
_chemical_compound_source          'synthetic from melt'
_chemical_formula_structural       'V2 O5'
_chemical_formula_sum              'O5 V2'
_publ_section_title                'Die Kristallstruktur des Vanadiumpentoxyds'
loop_
_publ_author_name                  'Ketelaar, J A A'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    95
_journal_year                      1936
_journal_page_first                9
_journal_page_last                 27
_cell_length_a                     11.503(10)
_cell_length_b                     4.369(5)
_cell_length_c                     3.557(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       178.8
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3.32
_symmetry_space_group_name_H-M     'P m n 21'
_symmetry_Int_Tables_number        31
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V5+    5.000
  O2-   -2.000
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
  V1    V5+    4 b 0.148(3) 0.097(3) 0. 1.  0 d
  O1    O2-    2 a 0. 0.08(2) 0.89(3) 1.  0 d
  O2    O2-    4 b 0.148(5) 0.45(1) 0.92(2) 1.  0 d
  O3    O2-    4 b 0.200(5) 0.03(1) 0.46(2) 1.  0 d
_cod_database_code 1011291