data_1008025
_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) - low-temperature phase
;
_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                94.86(2)
_cell_angle_beta                 95.17(1)
_cell_angle_gamma                109.39(1)
_cell_formula_units_Z            4
_cell_length_a                   5.503(1)
_cell_length_b                   6.997(2)
_cell_length_c                   12.256(2)
_cell_volume                     440.0
_refine_ls_R_factor_all          0.042
_cod_database_code               1008025
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 ? 0.2022(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
loop_
_atom_type_symbol
_atom_type_oxidation_number
V0 0.000
O0 0.000
