#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008024.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_1008024
_chemical_name_systematic          'Vanadium oxide (4/7)'
_chemical_formula_structural       'V4 O7'
_chemical_formula_sum              'O7 V4'
_publ_section_title                'The crystal structure of V~4~ O~7~ at 120K'
loop_
_publ_author_name
  'Hodeau, J L'
  'Marezio, M'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    23
_journal_year                      1978
_journal_page_first                253
_journal_page_last                 263
_cell_length_a                     5.509(1)
_cell_length_b                     7.008(2)
_cell_length_c                     12.256(2)
_cell_angle_alpha                  95.10(2)
_cell_angle_beta                   95.17(1)
_cell_angle_gamma                  109.25(2)
_cell_volume                       441.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  'x,1/2+y,1/2+z'
  '-x,1/2-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V0     0.000
  O0     0.000
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    V0     4 ? 0.2146(3) 0.1468(3) 0.0629(1) 1.  0 d
  V2    V0     4 ? 0.2230(4) 0.6550(3) 0.0671(2) 1.  0 d
  V3    V0     4 ? 0.6822(2) 0.4403(2) 0.1996(1) 1.  0 d
  V4    V0     4 ? 0.6874(2) 0.9419(2) 0.2018(1) 1.  0 d
  O1    O0     4 ? 0.1005(5) 0.8576(4) 0.0105(2) 1.  0 d
  O2    O0     4 ? 0.5864(6) 0.7958(5) 0.0545(2) 1.  0 d
  O3    O0     4 ? 0.8549(6) 0.4932(4) 0.0836(2) 1.  0 d
  O4    O0     4 ? 0.3271(5) 0.4367(4) 0.1373(2) 1.  0 d
  O5    O0     4 ? 0.5257(5) 0.1433(4) 0.1642(2) 1.  0 d
  O6    O0     4 ? 0.0309(6) 0.0641(4) 0.1982(2) 1.  0 d
  O7    O0     4 ? 0.2955(5) 0.7922(4) 0.2243(2) 1.  0 d
_refine_ls_R_factor_all            0.023
_cod_database_code 1008024