The structure described by Li2TiV3O8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom 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 V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) 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(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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 V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) 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(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) 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 V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded to one Li(2), one V(1), one V(2), and one V(6) atom to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(3)LiTiV2 trigonal pyramid,  a cornercorner with one O(5)LiTiV2 trigonal pyramid, corners with two equivalent O(4)LiTiV2 trigonal pyramids, corners with three equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(4)LiTiV2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one Ti(1), one V(4), and one V(5) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(4)LiTiV2 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(3)LiTiV2 trigonal pyramids, corners with two equivalent O(5)LiTiV2 trigonal pyramids, and  an edgeedge with one O(5)LiTiV2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Ti(1), one V(1), and one V(2) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(3)LiTiV2 trigonal pyramid,  a cornercorner with one O(5)LiTiV2 trigonal pyramid, corners with two equivalent O(4)LiTiV2 trigonal pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(1), one V(3), and one V(4) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(4)LiTiV2 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(3)LiTiV2 trigonal pyramids, corners with two equivalent O(5)LiTiV2 trigonal pyramids, and  an edgeedge with one O(3)LiTiV2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(1), and one V(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(3), and one V(5) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.039
_cell_length_b   10.287
_cell_length_c   6.004
_cell_angle_alpha   106.502
_cell_angle_beta   120.374
_cell_angle_gamma   89.581
_symmetry_Int_Tables_number   1
_cell_volume   304.330
_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  0.066  0.188  0.126  1.0
  Li  Li1  1  0.563  0.689  0.121  1.0
  Li  Li2  1  0.437  0.311  0.879  1.0
  Li  Li3  1  0.934  0.812  0.874  1.0
  Ti  Ti4  1  0.252  0.750  0.492  1.0
  Ti  Ti5  1  0.748  0.250  0.508  1.0
  V  V6  1  0.500  1.000  0.500  1.0
  V  V7  1  0.000  1.000  0.500  1.0
  V  V8  1  1.000  0.500  0.000  1.0
  V  V9  1  1.000  0.500  0.500  1.0
  V  V10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.500  1.000  1.000  1.0
  O  O12  1  0.130  0.395  0.244  1.0
  O  O13  1  0.637  0.895  0.266  1.0
  O  O14  1  0.364  0.105  0.734  1.0
  O  O15  1  0.870  0.605  0.756  1.0
  O  O16  1  0.352  0.622  0.708  1.0
  O  O17  1  0.864  0.119  0.716  1.0
  O  O18  1  0.907  0.619  0.258  1.0
  O  O19  1  0.415  0.126  0.267  1.0
  O  O20  1  0.346  0.625  0.254  1.0
  O  O21  1  0.875  0.120  0.284  1.0
  O  O22  1  0.125  0.880  0.716  1.0
  O  O23  1  0.654  0.375  0.746  1.0
  O  O24  1  0.585  0.874  0.733  1.0
  O  O25  1  0.093  0.381  0.742  1.0
  O  O26  1  0.136  0.881  0.284  1.0
  O  O27  1  0.648  0.378  0.292  1.0
[/CIF]
.
The structure described by Li2TiV3O8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom 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 V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) 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(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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 V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) 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(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) 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 V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded to one Li(2), one V(1), one V(2), and one V(6) atom to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(3)LiTiV2 trigonal pyramid,  a cornercorner with one O(5)LiTiV2 trigonal pyramid, corners with two equivalent O(4)LiTiV2 trigonal pyramids, corners with three equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(4)LiTiV2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one Ti(1), one V(4), and one V(5) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(4)LiTiV2 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(3)LiTiV2 trigonal pyramids, corners with two equivalent O(5)LiTiV2 trigonal pyramids, and  an edgeedge with one O(5)LiTiV2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Ti(1), one V(1), and one V(2) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(3)LiTiV2 trigonal pyramid,  a cornercorner with one O(5)LiTiV2 trigonal pyramid, corners with two equivalent O(4)LiTiV2 trigonal pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(1), one V(3), and one V(4) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(4)LiTiV2 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(3)LiTiV2 trigonal pyramids, corners with two equivalent O(5)LiTiV2 trigonal pyramids, and  an edgeedge with one O(3)LiTiV2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(1), and one V(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(3), and one V(5) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.039
_cell_length_b   10.287
_cell_length_c   6.004
_cell_angle_alpha   106.502
_cell_angle_beta   120.374
_cell_angle_gamma   89.581
_symmetry_Int_Tables_number   1
_cell_volume   304.330
_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  0.066  0.188  0.126  1.0
  Li  Li1  1  0.563  0.689  0.121  1.0
  Li  Li2  1  0.437  0.311  0.879  1.0
  Li  Li3  1  0.934  0.812  0.874  1.0
  Ti  Ti4  1  0.252  0.750  0.492  1.0
  Ti  Ti5  1  0.748  0.250  0.508  1.0
  V  V6  1  0.500  1.000  0.500  1.0
  V  V7  1  0.000  1.000  0.500  1.0
  V  V8  1  1.000  0.500  0.000  1.0
  V  V9  1  1.000  0.500  0.500  1.0
  V  V10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.500  1.000  1.000  1.0
  O  O12  1  0.130  0.395  0.244  1.0
  O  O13  1  0.637  0.895  0.266  1.0
  O  O14  1  0.364  0.105  0.734  1.0
  O  O15  1  0.870  0.605  0.756  1.0
  O  O16  1  0.352  0.622  0.708  1.0
  O  O17  1  0.864  0.119  0.716  1.0
  O  O18  1  0.907  0.619  0.258  1.0
  O  O19  1  0.415  0.126  0.267  1.0
  O  O20  1  0.346  0.625  0.254  1.0
  O  O21  1  0.875  0.120  0.284  1.0
  O  O22  1  0.125  0.880  0.716  1.0
  O  O23  1  0.654  0.375  0.746  1.0
  O  O24  1  0.585  0.874  0.733  1.0
  O  O25  1  0.093  0.381  0.742  1.0
  O  O26  1  0.136  0.881  0.284  1.0
  O  O27  1  0.648  0.378  0.292  1.0
[/CIF]
.