The material structure described by LiNbVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to one Li(2), one Nb(1), and two equivalent V(1) atoms to form distorted OLiNbV2 tetrahedra that share  a cornercorner with one O(2)LiNbV2 tetrahedra, corners with two equivalent O(4)LiNb2V trigonal pyramids,  an edgeedge with one O(2)LiNbV2 tetrahedra, and edges with two equivalent O(4)LiNb2V trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Nb(1), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Nb(1), and one V(1) atom to form distorted OLiNb2V trigonal pyramids that share corners with two equivalent O(2)LiNbV2 tetrahedra,  a cornercorner with one O(4)LiNb2V trigonal pyramid, edges with two equivalent O(2)LiNbV2 tetrahedra, and  an edgeedge with one O(4)LiNb2V trigonal pyramid. is represented by the CIF file [CIF]
data_LiNbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   6.141
_cell_length_c   6.150
_cell_angle_alpha   119.920
_cell_angle_beta   119.551
_cell_angle_gamma   90.050
_symmetry_Int_Tables_number   1
_cell_volume   163.383
_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
  Li  Li0  1  0.122  0.872  0.743  1.0
  Li  Li1  1  0.878  0.128  0.257  1.0
  Nb  Nb2  1  1.000  0.497  0.995  1.0
  Nb  Nb3  1  0.496  0.499  0.995  1.0
  O  O4  1  0.241  0.729  0.457  1.0
  O  O5  1  0.716  0.728  0.457  1.0
  O  O6  1  0.290  0.270  0.540  1.0
  O  O7  1  0.750  0.270  0.540  1.0
  O  O8  1  0.260  0.745  0.021  1.0
  O  O9  1  0.260  0.275  0.021  1.0
  O  O10  1  0.741  0.258  0.983  1.0
  O  O11  1  0.742  0.725  0.983  1.0
  V  V12  1  0.502  0.995  0.504  1.0
  V  V13  1  0.502  0.509  0.504  1.0
[/CIF]
.
The material structure described by LiNbVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to one Li(2), one Nb(1), and two equivalent V(1) atoms to form distorted OLiNbV2 tetrahedra that share  a cornercorner with one O(2)LiNbV2 tetrahedra, corners with two equivalent O(4)LiNb2V trigonal pyramids,  an edgeedge with one O(2)LiNbV2 tetrahedra, and edges with two equivalent O(4)LiNb2V trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Nb(1), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Nb(1), and one V(1) atom to form distorted OLiNb2V trigonal pyramids that share corners with two equivalent O(2)LiNbV2 tetrahedra,  a cornercorner with one O(4)LiNb2V trigonal pyramid, edges with two equivalent O(2)LiNbV2 tetrahedra, and  an edgeedge with one O(4)LiNb2V trigonal pyramid. is represented by the CIF file [CIF]
data_LiNbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   6.141
_cell_length_c   6.150
_cell_angle_alpha   119.920
_cell_angle_beta   119.551
_cell_angle_gamma   90.050
_symmetry_Int_Tables_number   1
_cell_volume   163.383
_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
  Li  Li0  1  0.122  0.872  0.743  1.0
  Li  Li1  1  0.878  0.128  0.257  1.0
  Nb  Nb2  1  1.000  0.497  0.995  1.0
  Nb  Nb3  1  0.496  0.499  0.995  1.0
  O  O4  1  0.241  0.729  0.457  1.0
  O  O5  1  0.716  0.728  0.457  1.0
  O  O6  1  0.290  0.270  0.540  1.0
  O  O7  1  0.750  0.270  0.540  1.0
  O  O8  1  0.260  0.745  0.021  1.0
  O  O9  1  0.260  0.275  0.021  1.0
  O  O10  1  0.741  0.258  0.983  1.0
  O  O11  1  0.742  0.725  0.983  1.0
  V  V12  1  0.502  0.995  0.504  1.0
  V  V13  1  0.502  0.509  0.504  1.0
[/CIF]
.