The compound described by Li2TiV3O8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one V(5) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(5), and one V(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Ti(1), one V(4), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Ti(2), one V(1), and one V(3) atom to form distorted corner-sharing OLiTiV2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Ti(1), one V(2), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(3), and one V(5) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Ti(1), one V(2), and one V(3) atom to form distorted corner-sharing OLiTiV2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded to one Li(4), one Ti(2), one V(1), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one V(2), and one V(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(1), and one V(5) atom. is represented by the CIF file [CIF]
data_Li2TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   10.386
_cell_length_c   5.982
_cell_angle_alpha   90.393
_cell_angle_beta   60.082
_cell_angle_gamma   73.666
_symmetry_Int_Tables_number   1
_cell_volume   304.126
_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  0.127  0.064  0.183  1.0
  Li  Li1  1  0.121  0.564  0.692  1.0
  Li  Li2  1  0.872  0.436  0.316  1.0
  Li  Li3  1  0.881  0.936  0.809  1.0
  Ti  Ti4  1  0.493  0.254  0.755  1.0
  Ti  Ti5  1  0.500  0.747  0.251  1.0
  V  V6  1  0.500  0.751  0.751  1.0
  V  V7  1  0.999  0.250  0.749  1.0
  V  V8  1  0.496  0.500  0.004  1.0
  V  V9  1  0.500  0.247  0.250  1.0
  V  V10  1  0.998  0.752  0.253  1.0
  V  V11  1  0.509  0.000  0.492  1.0
  O  O12  1  0.272  0.139  0.374  1.0
  O  O13  1  0.241  0.635  0.917  1.0
  O  O14  1  0.718  0.365  0.124  1.0
  O  O15  1  0.766  0.861  0.588  1.0
  O  O16  1  0.269  0.357  0.620  1.0
  O  O17  1  0.263  0.857  0.125  1.0
  O  O18  1  0.715  0.135  0.391  1.0
  O  O19  1  0.710  0.634  0.900  1.0
  O  O20  1  0.271  0.131  0.837  1.0
  O  O21  1  0.258  0.637  0.355  1.0
  O  O22  1  0.733  0.367  0.656  1.0
  O  O23  1  0.744  0.865  0.150  1.0
  O  O24  1  0.282  0.363  0.105  1.0
  O  O25  1  0.294  0.869  0.597  1.0
  O  O26  1  0.732  0.143  0.881  1.0
  O  O27  1  0.737  0.643  0.375  1.0
[/CIF]
.
The compound described by Li2TiV3O8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(3), and one V(5) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(5), and one V(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Ti(1), one V(4), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Ti(2), one V(1), and one V(3) atom to form distorted corner-sharing OLiTiV2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Ti(1), one V(2), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(3), and one V(5) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Ti(1), one V(2), and one V(3) atom to form distorted corner-sharing OLiTiV2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded to one Li(4), one Ti(2), one V(1), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiTiV2 trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one V(2), and one V(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(1), and one V(5) atom. is represented by the CIF file [CIF]
data_Li2TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   10.386
_cell_length_c   5.982
_cell_angle_alpha   90.393
_cell_angle_beta   60.082
_cell_angle_gamma   73.666
_symmetry_Int_Tables_number   1
_cell_volume   304.126
_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  0.127  0.064  0.183  1.0
  Li  Li1  1  0.121  0.564  0.692  1.0
  Li  Li2  1  0.872  0.436  0.316  1.0
  Li  Li3  1  0.881  0.936  0.809  1.0
  Ti  Ti4  1  0.493  0.254  0.755  1.0
  Ti  Ti5  1  0.500  0.747  0.251  1.0
  V  V6  1  0.500  0.751  0.751  1.0
  V  V7  1  0.999  0.250  0.749  1.0
  V  V8  1  0.496  0.500  0.004  1.0
  V  V9  1  0.500  0.247  0.250  1.0
  V  V10  1  0.998  0.752  0.253  1.0
  V  V11  1  0.509  0.000  0.492  1.0
  O  O12  1  0.272  0.139  0.374  1.0
  O  O13  1  0.241  0.635  0.917  1.0
  O  O14  1  0.718  0.365  0.124  1.0
  O  O15  1  0.766  0.861  0.588  1.0
  O  O16  1  0.269  0.357  0.620  1.0
  O  O17  1  0.263  0.857  0.125  1.0
  O  O18  1  0.715  0.135  0.391  1.0
  O  O19  1  0.710  0.634  0.900  1.0
  O  O20  1  0.271  0.131  0.837  1.0
  O  O21  1  0.258  0.637  0.355  1.0
  O  O22  1  0.733  0.367  0.656  1.0
  O  O23  1  0.744  0.865  0.150  1.0
  O  O24  1  0.282  0.363  0.105  1.0
  O  O25  1  0.294  0.869  0.597  1.0
  O  O26  1  0.732  0.143  0.881  1.0
  O  O27  1  0.737  0.643  0.375  1.0
[/CIF]
.