The material structure described by Li2TiCr3O8 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(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, and corners with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) 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 Cr(2)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) 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 Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 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 Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CrO6 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 Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CrO6 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 Cr(1)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 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 Cr(2)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 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,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)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 Cr(2), one Cr(4), and one Cr(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(3), and one Cr(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Cr(2), and one Cr(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Ti(1), one Cr(4), and one Cr(5) atom to form a mixture of distorted corner and edge-sharing OLiTiCr2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Ti(2), one Cr(1), and one Cr(5) atom to form distorted corner-sharing OLiTiCr2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Ti(1), one Cr(2), and one Cr(5) atom to form a mixture of distorted corner and edge-sharing OLiTiCr2 trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cr(3), and one Cr(5) atom. is represented by the CIF file [CIF]
data_Li2TiCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.939
_cell_length_b   10.300
_cell_length_c   5.935
_cell_angle_alpha   73.507
_cell_angle_beta   59.941
_cell_angle_gamma   89.884
_symmetry_Int_Tables_number   1
_cell_volume   296.997
_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  0.189  0.063  0.122  1.0
  Li  Li1  1  0.684  0.565  0.126  1.0
  Li  Li2  1  0.311  0.437  0.878  1.0
  Li  Li3  1  0.816  0.935  0.874  1.0
  Ti  Ti4  1  0.750  0.250  0.500  1.0
  Ti  Ti5  1  0.250  0.750  0.500  1.0
  Cr  Cr6  1  0.250  0.750  1.000  1.0
  Cr  Cr7  1  0.250  0.250  0.500  1.0
  Cr  Cr8  1  0.750  0.750  0.500  1.0
  Cr  Cr9  1  0.750  0.250  0.000  1.0
  Cr  Cr10  1  0.504  1.000  0.498  1.0
  Cr  Cr11  1  0.996  0.500  0.502  1.0
  O  O12  1  0.410  0.134  0.249  1.0
  O  O13  1  0.885  0.637  0.268  1.0
  O  O14  1  0.090  0.366  0.751  1.0
  O  O15  1  0.615  0.863  0.732  1.0
  O  O16  1  0.626  0.356  0.254  1.0
  O  O17  1  0.119  0.857  0.268  1.0
  O  O18  1  0.850  0.135  0.259  1.0
  O  O19  1  0.343  0.631  0.269  1.0
  O  O20  1  0.401  0.133  0.711  1.0
  O  O21  1  0.888  0.637  0.713  1.0
  O  O22  1  0.099  0.367  0.289  1.0
  O  O23  1  0.612  0.863  0.286  1.0
  O  O24  1  0.650  0.365  0.741  1.0
  O  O25  1  0.157  0.869  0.731  1.0
  O  O26  1  0.873  0.143  0.746  1.0
  O  O27  1  0.381  0.643  0.732  1.0
[/CIF]
.
The material structure described by Li2TiCr3O8 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(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, and corners with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) 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 Cr(2)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) 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 Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 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 Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CrO6 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 Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CrO6 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 Cr(1)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 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 Cr(2)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 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,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)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 Cr(2), one Cr(4), and one Cr(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(3), and one Cr(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Cr(2), and one Cr(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Ti(1), one Cr(4), and one Cr(5) atom to form a mixture of distorted corner and edge-sharing OLiTiCr2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Ti(2), one Cr(1), and one Cr(5) atom to form distorted corner-sharing OLiTiCr2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Ti(1), one Cr(2), and one Cr(5) atom to form a mixture of distorted corner and edge-sharing OLiTiCr2 trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cr(3), and one Cr(5) atom. is represented by the CIF file [CIF]
data_Li2TiCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.939
_cell_length_b   10.300
_cell_length_c   5.935
_cell_angle_alpha   73.507
_cell_angle_beta   59.941
_cell_angle_gamma   89.884
_symmetry_Int_Tables_number   1
_cell_volume   296.997
_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  0.189  0.063  0.122  1.0
  Li  Li1  1  0.684  0.565  0.126  1.0
  Li  Li2  1  0.311  0.437  0.878  1.0
  Li  Li3  1  0.816  0.935  0.874  1.0
  Ti  Ti4  1  0.750  0.250  0.500  1.0
  Ti  Ti5  1  0.250  0.750  0.500  1.0
  Cr  Cr6  1  0.250  0.750  1.000  1.0
  Cr  Cr7  1  0.250  0.250  0.500  1.0
  Cr  Cr8  1  0.750  0.750  0.500  1.0
  Cr  Cr9  1  0.750  0.250  0.000  1.0
  Cr  Cr10  1  0.504  1.000  0.498  1.0
  Cr  Cr11  1  0.996  0.500  0.502  1.0
  O  O12  1  0.410  0.134  0.249  1.0
  O  O13  1  0.885  0.637  0.268  1.0
  O  O14  1  0.090  0.366  0.751  1.0
  O  O15  1  0.615  0.863  0.732  1.0
  O  O16  1  0.626  0.356  0.254  1.0
  O  O17  1  0.119  0.857  0.268  1.0
  O  O18  1  0.850  0.135  0.259  1.0
  O  O19  1  0.343  0.631  0.269  1.0
  O  O20  1  0.401  0.133  0.711  1.0
  O  O21  1  0.888  0.637  0.713  1.0
  O  O22  1  0.099  0.367  0.289  1.0
  O  O23  1  0.612  0.863  0.286  1.0
  O  O24  1  0.650  0.365  0.741  1.0
  O  O25  1  0.157  0.869  0.731  1.0
  O  O26  1  0.873  0.143  0.746  1.0
  O  O27  1  0.381  0.643  0.732  1.0
[/CIF]
.