The structure described by NbVO4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.061
_cell_length_b   4.687
_cell_length_c   4.689
_cell_angle_alpha   89.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.263
_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  0.999  0.500  0.500  1.0
  O  O1  1  0.000  0.196  0.803  1.0
  O  O2  1  0.000  0.804  0.197  1.0
  O  O3  1  0.500  0.697  0.698  1.0
  O  O4  1  0.500  0.303  0.302  1.0
  V  V5  1  0.500  1.000  0.000  1.0
[/CIF]
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The structure described by NbVO4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.061
_cell_length_b   4.687
_cell_length_c   4.689
_cell_angle_alpha   89.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.263
_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  0.999  0.500  0.500  1.0
  O  O1  1  0.000  0.196  0.803  1.0
  O  O2  1  0.000  0.804  0.197  1.0
  O  O3  1  0.500  0.697  0.698  1.0
  O  O4  1  0.500  0.303  0.302  1.0
  V  V5  1  0.500  1.000  0.000  1.0
[/CIF]
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