The crystal structure described by V2NiO7 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom 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 39-51°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_V2NiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.912
_cell_length_b   6.743
_cell_length_c   7.821
_cell_angle_alpha   81.596
_cell_angle_beta   82.266
_cell_angle_gamma   76.062
_symmetry_Int_Tables_number   1
_cell_volume   297.739
_cell_formula_units_Z   2
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  0.609  0.851  0.234  1.0
  V  V1  1  0.391  0.149  0.766  1.0
  V  V2  1  0.800  0.327  0.908  1.0
  V  V3  1  0.200  0.673  0.092  1.0
  Ni  Ni4  1  0.585  0.358  0.349  1.0
  Ni  Ni5  1  0.415  0.642  0.651  1.0
  O  O6  1  0.875  0.250  0.435  1.0
  O  O7  1  0.125  0.750  0.565  1.0
  O  O8  1  0.742  0.419  0.103  1.0
  O  O9  1  0.258  0.581  0.897  1.0
  O  O10  1  0.546  0.074  0.315  1.0
  O  O11  1  0.454  0.926  0.685  1.0
  O  O12  1  0.731  0.519  0.746  1.0
  O  O13  1  0.269  0.481  0.254  1.0
  O  O14  1  0.384  0.847  0.098  1.0
  O  O15  1  0.616  0.153  0.902  1.0
  O  O16  1  0.101  0.189  0.874  1.0
  O  O17  1  0.899  0.811  0.126  1.0
  O  O18  1  0.586  0.657  0.402  1.0
  O  O19  1  0.414  0.343  0.598  1.0
[/CIF]
.
The crystal structure described by V2NiO7 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom 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 39-51°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_V2NiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.912
_cell_length_b   6.743
_cell_length_c   7.821
_cell_angle_alpha   81.596
_cell_angle_beta   82.266
_cell_angle_gamma   76.062
_symmetry_Int_Tables_number   1
_cell_volume   297.739
_cell_formula_units_Z   2
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  0.609  0.851  0.234  1.0
  V  V1  1  0.391  0.149  0.766  1.0
  V  V2  1  0.800  0.327  0.908  1.0
  V  V3  1  0.200  0.673  0.092  1.0
  Ni  Ni4  1  0.585  0.358  0.349  1.0
  Ni  Ni5  1  0.415  0.642  0.651  1.0
  O  O6  1  0.875  0.250  0.435  1.0
  O  O7  1  0.125  0.750  0.565  1.0
  O  O8  1  0.742  0.419  0.103  1.0
  O  O9  1  0.258  0.581  0.897  1.0
  O  O10  1  0.546  0.074  0.315  1.0
  O  O11  1  0.454  0.926  0.685  1.0
  O  O12  1  0.731  0.519  0.746  1.0
  O  O13  1  0.269  0.481  0.254  1.0
  O  O14  1  0.384  0.847  0.098  1.0
  O  O15  1  0.616  0.153  0.902  1.0
  O  O16  1  0.101  0.189  0.874  1.0
  O  O17  1  0.899  0.811  0.126  1.0
  O  O18  1  0.586  0.657  0.402  1.0
  O  O19  1  0.414  0.343  0.598  1.0
[/CIF]
.