data_1008112
_chemical_name_systematic          'NICKEL DIVANADIUM(III) SELENIDE'
_chemical_formula_structural       'NI V2 SE4'
_chemical_formula_sum              'Ni Se4 V2'
_publ_section_title
;
Structure and Properties of Nickel Vanadium Selenide, Ni V~2~ Ye~4~
;
loop_
_publ_author_name
  'Bouchard, R J'
  'Robinson, W T'
  'Wold, A'
_journal_name_full                 'Inorganic Chemistry'
_journal_coden_ASTM                INOCAJ
_journal_volume                    5
_journal_year                      1966
_journal_page_first                977
_journal_page_last                 980
_cell_length_a                     6.142(6)
_cell_length_b                     3.437(4)
_cell_length_c                     11.55(1)
_cell_angle_alpha                  90
_cell_angle_beta                   91.5(1)
_cell_angle_gamma                  90
_cell_volume                       243.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  V3+    3.000
  Se2-  -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+   2 a 0. 0. 0. 1.  0 d
  V1    V3+    4 i -0.0457(42) 0. 0.2592(29) 1.  0 d
  Se1   Se2-   4 i 0.3355(30) 0. 0.3625(15) 1.  0 d
  Se2   Se2-   4 i 0.3380(26) 0. 0.8892(20) 1.  0 d
_refine_ls_R_factor_all            0.061