The material structure described by Ni2V2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Ni(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Ni(1), and one Ni(2) atom. In the third O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Ni(2) atoms. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(2) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Ni2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   6.506
_cell_length_c   9.322
_cell_angle_alpha   80.200
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.010
_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  0.519  0.805  0.312  1.0
  V  V1  1  0.019  0.195  0.188  1.0
  V  V2  1  0.481  0.195  0.688  1.0
  V  V3  1  0.981  0.805  0.812  1.0
  V  V4  1  0.261  0.636  0.031  1.0
  V  V5  1  0.761  0.364  0.469  1.0
  V  V6  1  0.739  0.364  0.969  1.0
  V  V7  1  0.239  0.636  0.531  1.0
  Ni  Ni8  1  0.887  0.697  0.179  1.0
  Ni  Ni9  1  0.387  0.303  0.321  1.0
  Ni  Ni10  1  0.113  0.303  0.821  1.0
  Ni  Ni11  1  0.613  0.697  0.679  1.0
  Ni  Ni12  1  0.622  0.854  0.963  1.0
  Ni  Ni13  1  0.122  0.146  0.537  1.0
  Ni  Ni14  1  0.378  0.146  0.037  1.0
  Ni  Ni15  1  0.878  0.854  0.463  1.0
  O  O16  1  0.881  0.145  0.506  1.0
  O  O17  1  0.381  0.855  0.994  1.0
  O  O18  1  0.119  0.855  0.494  1.0
  O  O19  1  0.619  0.145  0.006  1.0
  O  O20  1  0.585  0.969  0.749  1.0
  O  O21  1  0.085  0.031  0.751  1.0
  O  O22  1  0.415  0.031  0.251  1.0
  O  O23  1  0.915  0.969  0.249  1.0
  O  O24  1  0.877  0.322  0.848  1.0
  O  O25  1  0.377  0.678  0.652  1.0
  O  O26  1  0.123  0.678  0.152  1.0
  O  O27  1  0.623  0.322  0.348  1.0
  O  O28  1  0.856  0.744  0.678  1.0
  O  O29  1  0.356  0.256  0.822  1.0
  O  O30  1  0.144  0.256  0.322  1.0
  O  O31  1  0.644  0.744  0.178  1.0
  O  O32  1  0.868  0.399  0.126  1.0
  O  O33  1  0.368  0.601  0.374  1.0
  O  O34  1  0.132  0.601  0.874  1.0
  O  O35  1  0.632  0.399  0.626  1.0
  O  O36  1  0.877  0.576  0.393  1.0
  O  O37  1  0.377  0.424  0.107  1.0
  O  O38  1  0.123  0.424  0.607  1.0
  O  O39  1  0.623  0.576  0.893  1.0
  O  O40  1  0.632  0.830  0.461  1.0
  O  O41  1  0.132  0.170  0.039  1.0
  O  O42  1  0.368  0.170  0.539  1.0
  O  O43  1  0.868  0.830  0.961  1.0
[/CIF]
.
The material structure described by Ni2V2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Ni(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Ni(1), and one Ni(2) atom. In the third O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Ni(2) atoms. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(2) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Ni2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   6.506
_cell_length_c   9.322
_cell_angle_alpha   80.200
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.010
_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  0.519  0.805  0.312  1.0
  V  V1  1  0.019  0.195  0.188  1.0
  V  V2  1  0.481  0.195  0.688  1.0
  V  V3  1  0.981  0.805  0.812  1.0
  V  V4  1  0.261  0.636  0.031  1.0
  V  V5  1  0.761  0.364  0.469  1.0
  V  V6  1  0.739  0.364  0.969  1.0
  V  V7  1  0.239  0.636  0.531  1.0
  Ni  Ni8  1  0.887  0.697  0.179  1.0
  Ni  Ni9  1  0.387  0.303  0.321  1.0
  Ni  Ni10  1  0.113  0.303  0.821  1.0
  Ni  Ni11  1  0.613  0.697  0.679  1.0
  Ni  Ni12  1  0.622  0.854  0.963  1.0
  Ni  Ni13  1  0.122  0.146  0.537  1.0
  Ni  Ni14  1  0.378  0.146  0.037  1.0
  Ni  Ni15  1  0.878  0.854  0.463  1.0
  O  O16  1  0.881  0.145  0.506  1.0
  O  O17  1  0.381  0.855  0.994  1.0
  O  O18  1  0.119  0.855  0.494  1.0
  O  O19  1  0.619  0.145  0.006  1.0
  O  O20  1  0.585  0.969  0.749  1.0
  O  O21  1  0.085  0.031  0.751  1.0
  O  O22  1  0.415  0.031  0.251  1.0
  O  O23  1  0.915  0.969  0.249  1.0
  O  O24  1  0.877  0.322  0.848  1.0
  O  O25  1  0.377  0.678  0.652  1.0
  O  O26  1  0.123  0.678  0.152  1.0
  O  O27  1  0.623  0.322  0.348  1.0
  O  O28  1  0.856  0.744  0.678  1.0
  O  O29  1  0.356  0.256  0.822  1.0
  O  O30  1  0.144  0.256  0.322  1.0
  O  O31  1  0.644  0.744  0.178  1.0
  O  O32  1  0.868  0.399  0.126  1.0
  O  O33  1  0.368  0.601  0.374  1.0
  O  O34  1  0.132  0.601  0.874  1.0
  O  O35  1  0.632  0.399  0.626  1.0
  O  O36  1  0.877  0.576  0.393  1.0
  O  O37  1  0.377  0.424  0.107  1.0
  O  O38  1  0.123  0.424  0.607  1.0
  O  O39  1  0.623  0.576  0.893  1.0
  O  O40  1  0.632  0.830  0.461  1.0
  O  O41  1  0.132  0.170  0.039  1.0
  O  O42  1  0.368  0.170  0.539  1.0
  O  O43  1  0.868  0.830  0.961  1.0
[/CIF]
.