#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008025.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_1008025
_chemical_name_systematic
;
Vanadium oxide (4/7) - low-temperature phase
;
_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                     5.503(1)
_cell_length_b                     6.997(2)
_cell_length_c                     12.256(2)
_cell_angle_alpha                  94.86(2)
_cell_angle_beta                   95.17(1)
_cell_angle_gamma                  109.39(1)
_cell_volume                       440.0
_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 ? 0.2022(2) 0.1404(1) 0.06216(7) 1.  0 d
  V2    V0     4 ? 0.2362(2) 0.6540(1) 0.06961(8) 1.  0 d
  V3    V0     4 ? 0.6859(2) 0.4406(1) 0.19785(7) 1.  0 d
  V4    V0     4 ? 0.6797(2) 0.9401(1) 0.19961(8) 1.  0 d
  O1    O0     4 ? 0.1072(6) 0.8538(5) 0.0136(3) 1.  0 d
  O2    O0     4 ? 0.5929(6) 0.7927(5) 0.0466(3) 1.  0 d
  O3    O0     4 ? 0.8574(6) 0.4935(5) 0.0861(3) 1.  0 d
  O4    O0     4 ? 0.3312(6) 0.4349(5) 0.1373(3) 1.  0 d
  O5    O0     4 ? 0.5244(6) 0.1453(5) 0.1641(3) 1.  0 d
  O6    O0     4 ? 0.0415(6) 0.0663(5) 0.1944(3) 1.  0 d
  O7    O0     4 ? 0.2956(6) 0.7931(5) 0.2244(3) 1.  0 d
_refine_ls_R_factor_all            0.042