The material structure described by V2NiO8 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-33°. Ni(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to one V(1) and one Ni(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   10.928
_cell_length_c   11.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.863
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.302  0.034  0.172  1.0
  V  V1  1  0.698  0.966  0.828  1.0
  V  V2  1  0.198  0.966  0.672  1.0
  V  V3  1  0.698  0.534  0.828  1.0
  V  V4  1  0.802  0.034  0.328  1.0
  V  V5  1  0.302  0.466  0.172  1.0
  V  V6  1  0.802  0.466  0.328  1.0
  V  V7  1  0.198  0.534  0.672  1.0
  Ni  Ni8  1  0.018  0.250  0.545  1.0
  Ni  Ni9  1  0.982  0.750  0.455  1.0
  Ni  Ni10  1  0.482  0.750  0.045  1.0
  Ni  Ni11  1  0.518  0.250  0.955  1.0
  O  O12  1  0.225  0.250  0.878  1.0
  O  O13  1  0.775  0.750  0.122  1.0
  O  O14  1  0.275  0.750  0.378  1.0
  O  O15  1  0.725  0.250  0.622  1.0
  O  O16  1  0.994  0.070  0.210  1.0
  O  O17  1  0.006  0.930  0.790  1.0
  O  O18  1  0.506  0.930  0.710  1.0
  O  O19  1  0.006  0.570  0.790  1.0
  O  O20  1  0.494  0.070  0.290  1.0
  O  O21  1  0.994  0.430  0.210  1.0
  O  O22  1  0.494  0.430  0.290  1.0
  O  O23  1  0.506  0.570  0.710  1.0
  O  O24  1  0.171  0.118  0.644  1.0
  O  O25  1  0.829  0.882  0.356  1.0
  O  O26  1  0.329  0.882  0.144  1.0
  O  O27  1  0.829  0.618  0.356  1.0
  O  O28  1  0.671  0.118  0.856  1.0
  O  O29  1  0.171  0.382  0.644  1.0
  O  O30  1  0.671  0.382  0.856  1.0
  O  O31  1  0.329  0.618  0.144  1.0
  O  O32  1  0.385  0.117  0.059  1.0
  O  O33  1  0.615  0.883  0.941  1.0
  O  O34  1  0.115  0.883  0.559  1.0
  O  O35  1  0.615  0.617  0.941  1.0
  O  O36  1  0.885  0.117  0.441  1.0
  O  O37  1  0.385  0.383  0.059  1.0
  O  O38  1  0.885  0.383  0.441  1.0
  O  O39  1  0.115  0.617  0.559  1.0
  O  O40  1  0.322  0.250  0.466  1.0
  O  O41  1  0.678  0.750  0.534  1.0
  O  O42  1  0.178  0.750  0.966  1.0
  O  O43  1  0.822  0.250  0.034  1.0
[/CIF]
.
The material structure described by V2NiO8 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-33°. Ni(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to one V(1) and one Ni(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   10.928
_cell_length_c   11.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.863
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.302  0.034  0.172  1.0
  V  V1  1  0.698  0.966  0.828  1.0
  V  V2  1  0.198  0.966  0.672  1.0
  V  V3  1  0.698  0.534  0.828  1.0
  V  V4  1  0.802  0.034  0.328  1.0
  V  V5  1  0.302  0.466  0.172  1.0
  V  V6  1  0.802  0.466  0.328  1.0
  V  V7  1  0.198  0.534  0.672  1.0
  Ni  Ni8  1  0.018  0.250  0.545  1.0
  Ni  Ni9  1  0.982  0.750  0.455  1.0
  Ni  Ni10  1  0.482  0.750  0.045  1.0
  Ni  Ni11  1  0.518  0.250  0.955  1.0
  O  O12  1  0.225  0.250  0.878  1.0
  O  O13  1  0.775  0.750  0.122  1.0
  O  O14  1  0.275  0.750  0.378  1.0
  O  O15  1  0.725  0.250  0.622  1.0
  O  O16  1  0.994  0.070  0.210  1.0
  O  O17  1  0.006  0.930  0.790  1.0
  O  O18  1  0.506  0.930  0.710  1.0
  O  O19  1  0.006  0.570  0.790  1.0
  O  O20  1  0.494  0.070  0.290  1.0
  O  O21  1  0.994  0.430  0.210  1.0
  O  O22  1  0.494  0.430  0.290  1.0
  O  O23  1  0.506  0.570  0.710  1.0
  O  O24  1  0.171  0.118  0.644  1.0
  O  O25  1  0.829  0.882  0.356  1.0
  O  O26  1  0.329  0.882  0.144  1.0
  O  O27  1  0.829  0.618  0.356  1.0
  O  O28  1  0.671  0.118  0.856  1.0
  O  O29  1  0.171  0.382  0.644  1.0
  O  O30  1  0.671  0.382  0.856  1.0
  O  O31  1  0.329  0.618  0.144  1.0
  O  O32  1  0.385  0.117  0.059  1.0
  O  O33  1  0.615  0.883  0.941  1.0
  O  O34  1  0.115  0.883  0.559  1.0
  O  O35  1  0.615  0.617  0.941  1.0
  O  O36  1  0.885  0.117  0.441  1.0
  O  O37  1  0.385  0.383  0.059  1.0
  O  O38  1  0.885  0.383  0.441  1.0
  O  O39  1  0.115  0.617  0.559  1.0
  O  O40  1  0.322  0.250  0.466  1.0
  O  O41  1  0.678  0.750  0.534  1.0
  O  O42  1  0.178  0.750  0.966  1.0
  O  O43  1  0.822  0.250  0.034  1.0
[/CIF]
.