data_1007072
_chemical_name_systematic          'Nickel vanadate'
_chemical_formula_structural       'Ni3 V2 O8'
_chemical_formula_sum              'Ni3 O8 V2'
_publ_section_title
;
Structure aux Rayons X, Neutrons et Proprietes Magnetiques des
Orthovanadates de Nickel et de Cobalt
;
loop_
_publ_author_name
  'Fuess, H'
  'Bertaut, E F'
  'Pauthenet, R'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    26
_journal_year                      1970
_journal_page_first                2036
_journal_page_last                 2046
_cell_length_a                     8.24(1)
_cell_length_b                     11.38(1)
_cell_length_c                     5.906(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       553.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A c a m'
_symmetry_Int_Tables_number        64
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2+z'
  '-x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2-x,y,1/2+z'
  '-x,1/2-y,1/2-z'
  'x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2+x,-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  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
  Ni1   Ni2+   4 a 0. 0. 0. 1.  0 d
  Ni2   Ni2+   8 e 0.25 0.125(4) 0.25 1.  0 d
  V1    V5+    8 f 0.125(7) 0.380(3) 0. 1.  0 d
  O1    O2-    8 f 0.230(11) 0.235(8) 0. 1.  0 d
  O2    O2-    8 f 0.255(11) -0.01(1) 0. 1.  0 d
  O3    O2-   16 g 0.003(8) 0.116(9) 0.282(19) 1.  0 d
_refine_ls_R_factor_all            0.124