#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011174.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_1011174
_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
;
Crystal structure and shape of colloidal particles of vanadium pentoxide
;
_publ_author_name                  'Ketelaar, J A A'
_journal_name_full                 'Nature (London)'
_journal_coden_ASTM                NATUAS
_journal_volume                    137
_journal_year                      1936
_journal_page_first                316
_journal_page_last                 316
_cell_length_a                     11.48(1)
_cell_length_b                     4.360(5)
_cell_length_c                     3.555(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       177.9
_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 0.146(3) 0.095(5) 0. 1.  0 d
  O1    O2-    2 a 0. 0.17(2) 0.11(3) 1.  0 d
  O2    O2-    4 b 0.155(7) 0.45(1) 0.92(2) 1.  0 d
  O3    O2-    4 b 0.195(7) 0.04(1) 0.46(2) 1.  0 d