The structure described by NbVO4 is Rutile-derived structured and crystallizes in the monoclinic P2_1/c space group. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with six equivalent V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.654
_cell_length_c   11.631
_cell_angle_alpha   89.852
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.789
_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
  Nb  Nb0  1  0.258  0.499  0.676  1.0
  Nb  Nb1  1  0.242  0.999  0.176  1.0
  Nb  Nb2  1  0.758  0.001  0.824  1.0
  Nb  Nb3  1  0.742  0.501  0.324  1.0
  V  V4  1  0.253  0.500  0.939  1.0
  V  V5  1  0.247  0.000  0.439  1.0
  V  V6  1  0.753  1.000  0.561  1.0
  V  V7  1  0.747  0.500  0.061  1.0
  O  O8  1  0.078  0.727  0.813  1.0
  O  O9  1  0.582  0.743  0.938  1.0
  O  O10  1  0.422  0.227  0.313  1.0
  O  O11  1  0.427  0.272  0.813  1.0
  O  O12  1  0.918  0.243  0.438  1.0
  O  O13  1  0.919  0.258  0.939  1.0
  O  O14  1  0.419  0.242  0.561  1.0
  O  O15  1  0.927  0.228  0.687  1.0
  O  O16  1  0.073  0.772  0.313  1.0
  O  O17  1  0.581  0.758  0.439  1.0
  O  O18  1  0.081  0.742  0.061  1.0
  O  O19  1  0.082  0.757  0.562  1.0
  O  O20  1  0.573  0.728  0.187  1.0
  O  O21  1  0.578  0.773  0.687  1.0
  O  O22  1  0.418  0.257  0.062  1.0
  O  O23  1  0.922  0.273  0.187  1.0
[/CIF]
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The structure described by NbVO4 is Rutile-derived structured and crystallizes in the monoclinic P2_1/c space group. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with six equivalent V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.654
_cell_length_c   11.631
_cell_angle_alpha   89.852
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.789
_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
  Nb  Nb0  1  0.258  0.499  0.676  1.0
  Nb  Nb1  1  0.242  0.999  0.176  1.0
  Nb  Nb2  1  0.758  0.001  0.824  1.0
  Nb  Nb3  1  0.742  0.501  0.324  1.0
  V  V4  1  0.253  0.500  0.939  1.0
  V  V5  1  0.247  0.000  0.439  1.0
  V  V6  1  0.753  1.000  0.561  1.0
  V  V7  1  0.747  0.500  0.061  1.0
  O  O8  1  0.078  0.727  0.813  1.0
  O  O9  1  0.582  0.743  0.938  1.0
  O  O10  1  0.422  0.227  0.313  1.0
  O  O11  1  0.427  0.272  0.813  1.0
  O  O12  1  0.918  0.243  0.438  1.0
  O  O13  1  0.919  0.258  0.939  1.0
  O  O14  1  0.419  0.242  0.561  1.0
  O  O15  1  0.927  0.228  0.687  1.0
  O  O16  1  0.073  0.772  0.313  1.0
  O  O17  1  0.581  0.758  0.439  1.0
  O  O18  1  0.081  0.742  0.061  1.0
  O  O19  1  0.082  0.757  0.562  1.0
  O  O20  1  0.573  0.728  0.187  1.0
  O  O21  1  0.578  0.773  0.687  1.0
  O  O22  1  0.418  0.257  0.062  1.0
  O  O23  1  0.922  0.273  0.187  1.0
[/CIF]
.