#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008024.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
loop_
_publ_author_name
'Hodeau, J L'
'Marezio, M'
_publ_section_title              'The crystal structure of V₄ O₇ at 120K'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               263
_journal_paper_doi               10.1016/0022-4596(78)90072-5
_journal_volume                  23
_journal_year                    1978
_chemical_formula_structural     'V4 O7'
_chemical_formula_sum            'O7 V4'
_chemical_name_systematic        'Vanadium oxide (4/7)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                95.10(2)
_cell_angle_beta                 95.17(1)
_cell_angle_gamma                109.25(2)
_cell_formula_units_Z            4
_cell_length_a                   5.509(1)
_cell_length_b                   7.008(2)
_cell_length_c                   12.256(2)
_cell_volume                     441.3
_refine_ls_R_factor_all          0.023
_cod_database_code               1008024
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
V0 0.000
O0 0.000
