The compound described by LiVTiO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Li site, Li(2) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), one Ti(1), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the second O site, O(4) is bonded to one Li(1), one Ti(2), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the third O site, O(5) is bonded to one Li(1), one Ti(3), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the fourth O site, O(6) is bonded to one Li(2), one Ti(3), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the fifth O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(3), and one V(1) atom. In the sixth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Ti(3), and one V(2) atom. is represented by the CIF file [CIF]
data_LiTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.995
_cell_length_c   6.012
_cell_angle_alpha   60.093
_cell_angle_beta   60.622
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   152.902
_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  0.878  0.128  0.243  1.0
  Li  Li1  1  0.122  0.872  0.757  1.0
  O  O2  1  0.745  0.274  0.511  1.0
  O  O3  1  0.745  0.715  0.511  1.0
  O  O4  1  0.255  0.285  0.489  1.0
  O  O5  1  0.255  0.726  0.489  1.0
  O  O6  1  0.748  0.269  0.962  1.0
  O  O7  1  0.291  0.269  0.962  1.0
  O  O8  1  0.252  0.731  0.038  1.0
  O  O9  1  0.709  0.731  0.038  1.0
  Ti  Ti10  1  1.000  0.500  0.500  1.0
  Ti  Ti11  1  0.500  0.500  0.500  1.0
  V  V12  1  0.500  1.000  1.000  1.0
  V  V13  1  0.500  0.500  1.000  1.0
[/CIF]
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The compound described by LiVTiO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Li site, Li(2) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), one Ti(1), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the second O site, O(4) is bonded to one Li(1), one Ti(2), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the third O site, O(5) is bonded to one Li(1), one Ti(3), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the fourth O site, O(6) is bonded to one Li(2), one Ti(3), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the fifth O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(3), and one V(1) atom. In the sixth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Ti(3), and one V(2) atom. is represented by the CIF file [CIF]
data_LiTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.995
_cell_length_c   6.012
_cell_angle_alpha   60.093
_cell_angle_beta   60.622
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   152.902
_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  0.878  0.128  0.243  1.0
  Li  Li1  1  0.122  0.872  0.757  1.0
  O  O2  1  0.745  0.274  0.511  1.0
  O  O3  1  0.745  0.715  0.511  1.0
  O  O4  1  0.255  0.285  0.489  1.0
  O  O5  1  0.255  0.726  0.489  1.0
  O  O6  1  0.748  0.269  0.962  1.0
  O  O7  1  0.291  0.269  0.962  1.0
  O  O8  1  0.252  0.731  0.038  1.0
  O  O9  1  0.709  0.731  0.038  1.0
  Ti  Ti10  1  1.000  0.500  0.500  1.0
  Ti  Ti11  1  0.500  0.500  0.500  1.0
  V  V12  1  0.500  1.000  1.000  1.0
  V  V13  1  0.500  0.500  1.000  1.0
[/CIF]
.