data_2002114
_chemical_name_systematic          'Barium dinickel(II) divanadate(V)'
_chemical_formula_structural       'Ba Ni2 V2 O8'
_chemical_formula_sum              'Ba Ni2 O8 V2'
_publ_section_title                'Zur Kenntnis von Ba Ni~2~ V~2~ O~8~'
loop_
_publ_author_name
  'Wichmann, R'
  'Muller-Buschbaum, H'
_journal_name_full                 'Revue de Chimie Minerale'
_journal_volume                    21
_journal_year                      1984
_journal_page_first                824
_journal_page_last                 829
_cell_length_a                     5.0375
_cell_length_b                     5.0375
_cell_length_c                     22.33
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       490.7
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 H'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  V5+    5.000
  Ni2+   2.000
  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
  Ba1   Ba2+   3 a 0. 0. 0. 1.  0 d
  V1    V5+    6 c 0. 0. 0.42458(7) 1.  0 d
  Ni1   Ni2+   6 c 0. 0. 0.16972(6) 1.  0 d
  O1    O2-    6 c 0. 0. 0.3507(4) 1.  0 d
  O2    O2-   18 f 0.658(1) 0.004(1) 0.2195(2) 1.  0 d
_refine_ls_R_factor_all            0.049