The compound described by NbVO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 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 distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped 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 T-shaped 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   5.703
_cell_length_b   5.636
_cell_length_c   5.659
_cell_angle_alpha   139.158
_cell_angle_beta   139.012
_cell_angle_gamma   59.271
_symmetry_Int_Tables_number   1
_cell_volume   77.252
_cell_formula_units_Z   1
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  0.021  0.012  0.032  1.0
  V  V1  1  0.738  0.242  0.482  1.0
  O  O2  1  0.536  0.032  0.495  1.0
  O  O3  1  0.199  0.207  0.998  1.0
  O  O4  1  0.953  0.464  0.489  1.0
  O  O5  1  0.803  0.792  0.004  1.0
[/CIF]
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The compound described by NbVO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 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 distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped 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 T-shaped 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   5.703
_cell_length_b   5.636
_cell_length_c   5.659
_cell_angle_alpha   139.158
_cell_angle_beta   139.012
_cell_angle_gamma   59.271
_symmetry_Int_Tables_number   1
_cell_volume   77.252
_cell_formula_units_Z   1
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  0.021  0.012  0.032  1.0
  V  V1  1  0.738  0.242  0.482  1.0
  O  O2  1  0.536  0.032  0.495  1.0
  O  O3  1  0.199  0.207  0.998  1.0
  O  O4  1  0.953  0.464  0.489  1.0
  O  O5  1  0.803  0.792  0.004  1.0
[/CIF]
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