The material structure described by Li2TiCrO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Ti(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Ti(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form TiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form TiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the third Ti site, Ti(3) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are two 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(5) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Ti(3), and two equivalent Cr(2) atoms to form distorted OLi3TiCr2 octahedra that share corners with three equivalent O(1)Li3TiCr2 octahedra, corners with three equivalent O(2)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra, edges with two equivalent O(5)Li3Ti2Cr octahedra, edges with three equivalent O(3)Li3TiCr2 octahedra, and edges with six equivalent O(6)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), one Ti(3), and two equivalent Cr(1) atoms to form OLi3TiCr2 octahedra that share corners with three equivalent O(1)Li3TiCr2 octahedra, corners with three equivalent O(2)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra, edges with two equivalent O(6)Li3Ti2Cr octahedra, edges with three equivalent O(4)Li3TiCr2 octahedra, and edges with six equivalent O(5)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ti(2), and two equivalent Cr(2) atoms to form OLi3TiCr2 octahedra that share corners with three equivalent O(3)Li3TiCr2 octahedra, corners with three equivalent O(4)Li3TiCr2 octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra, edges with two equivalent O(5)Li3Ti2Cr octahedra, edges with three equivalent O(1)Li3TiCr2 octahedra, and edges with six equivalent O(6)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Ti(1), and two equivalent Cr(1) atoms to form OLi3TiCr2 octahedra that share corners with three equivalent O(3)Li3TiCr2 octahedra, corners with three equivalent O(4)Li3TiCr2 octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra, edges with two equivalent O(6)Li3Ti2Cr octahedra, edges with three equivalent O(2)Li3TiCr2 octahedra, and edges with six equivalent O(5)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(3), and one Cr(1) atom to form OLi3Ti2Cr octahedra that share corners with three equivalent O(5)Li3Ti2Cr octahedra, corners with three equivalent O(6)Li3Ti2Cr octahedra,  an edgeedge with one O(6)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra, edges with three equivalent O(5)Li3Ti2Cr octahedra, edges with three equivalent O(2)Li3TiCr2 octahedra, and edges with three equivalent O(4)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ti(2), one Ti(3), and one Cr(2) atom to form OLi3Ti2Cr octahedra that share corners with three equivalent O(5)Li3Ti2Cr octahedra, corners with three equivalent O(6)Li3Ti2Cr octahedra,  an edgeedge with one O(5)Li3Ti2Cr octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra, edges with three equivalent O(6)Li3Ti2Cr octahedra, edges with three equivalent O(1)Li3TiCr2 octahedra, and edges with three equivalent O(3)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF file [CIF]
data_Li2TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   10.387
_cell_length_c   5.966
_cell_angle_alpha   106.670
_cell_angle_beta   118.947
_cell_angle_gamma   90.538
_symmetry_Int_Tables_number   1
_cell_volume   305.039
_cell_formula_units_Z   4
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  0.509  0.999  0.002  1.0
  Li  Li1  1  0.991  0.501  0.998  1.0
  Li  Li2  1  0.996  0.999  0.490  1.0
  Li  Li3  1  0.504  0.501  0.510  1.0
  Li  Li4  1  0.500  0.999  0.499  1.0
  Li  Li5  1  1.000  0.501  0.501  1.0
  Li  Li6  1  0.250  0.750  0.500  1.0
  Li  Li7  1  0.750  0.250  0.500  1.0
  Ti  Ti8  1  0.250  0.250  0.000  1.0
  Ti  Ti9  1  0.750  0.750  1.000  1.0
  Ti  Ti10  1  0.009  0.997  0.989  1.0
  Ti  Ti11  1  0.491  0.503  0.011  1.0
  Cr  Cr12  1  0.750  0.250  0.000  1.0
  Cr  Cr13  1  0.250  0.250  0.500  1.0
  Cr  Cr14  1  0.250  0.750  1.000  1.0
  Cr  Cr15  1  0.750  0.750  0.500  1.0
  O  O16  1  0.370  0.600  0.231  1.0
  O  O17  1  0.890  0.130  0.240  1.0
  O  O18  1  0.630  0.864  0.235  1.0
  O  O19  1  0.119  0.359  0.241  1.0
  O  O20  1  0.381  0.141  0.760  1.0
  O  O21  1  0.871  0.636  0.765  1.0
  O  O22  1  0.610  0.370  0.760  1.0
  O  O23  1  0.130  0.900  0.769  1.0
  O  O24  1  0.359  0.131  0.247  1.0
  O  O25  1  0.855  0.625  0.236  1.0
  O  O26  1  0.389  0.625  0.770  1.0
  O  O27  1  0.884  0.131  0.772  1.0
  O  O28  1  0.616  0.369  0.228  1.0
  O  O29  1  0.111  0.875  0.230  1.0
  O  O30  1  0.645  0.875  0.764  1.0
  O  O31  1  0.141  0.369  0.753  1.0
[/CIF]
.
The material structure described by Li2TiCrO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Ti(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Ti(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form TiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form TiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the third Ti site, Ti(3) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are two 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(5) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Ti(3), and two equivalent Cr(2) atoms to form distorted OLi3TiCr2 octahedra that share corners with three equivalent O(1)Li3TiCr2 octahedra, corners with three equivalent O(2)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra, edges with two equivalent O(5)Li3Ti2Cr octahedra, edges with three equivalent O(3)Li3TiCr2 octahedra, and edges with six equivalent O(6)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), one Ti(3), and two equivalent Cr(1) atoms to form OLi3TiCr2 octahedra that share corners with three equivalent O(1)Li3TiCr2 octahedra, corners with three equivalent O(2)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra, edges with two equivalent O(6)Li3Ti2Cr octahedra, edges with three equivalent O(4)Li3TiCr2 octahedra, and edges with six equivalent O(5)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ti(2), and two equivalent Cr(2) atoms to form OLi3TiCr2 octahedra that share corners with three equivalent O(3)Li3TiCr2 octahedra, corners with three equivalent O(4)Li3TiCr2 octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra, edges with two equivalent O(5)Li3Ti2Cr octahedra, edges with three equivalent O(1)Li3TiCr2 octahedra, and edges with six equivalent O(6)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Ti(1), and two equivalent Cr(1) atoms to form OLi3TiCr2 octahedra that share corners with three equivalent O(3)Li3TiCr2 octahedra, corners with three equivalent O(4)Li3TiCr2 octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra, edges with two equivalent O(6)Li3Ti2Cr octahedra, edges with three equivalent O(2)Li3TiCr2 octahedra, and edges with six equivalent O(5)Li3Ti2Cr octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(3), and one Cr(1) atom to form OLi3Ti2Cr octahedra that share corners with three equivalent O(5)Li3Ti2Cr octahedra, corners with three equivalent O(6)Li3Ti2Cr octahedra,  an edgeedge with one O(6)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra, edges with three equivalent O(5)Li3Ti2Cr octahedra, edges with three equivalent O(2)Li3TiCr2 octahedra, and edges with three equivalent O(4)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ti(2), one Ti(3), and one Cr(2) atom to form OLi3Ti2Cr octahedra that share corners with three equivalent O(5)Li3Ti2Cr octahedra, corners with three equivalent O(6)Li3Ti2Cr octahedra,  an edgeedge with one O(5)Li3Ti2Cr octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra, edges with three equivalent O(6)Li3Ti2Cr octahedra, edges with three equivalent O(1)Li3TiCr2 octahedra, and edges with three equivalent O(3)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF file [CIF]
data_Li2TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   10.387
_cell_length_c   5.966
_cell_angle_alpha   106.670
_cell_angle_beta   118.947
_cell_angle_gamma   90.538
_symmetry_Int_Tables_number   1
_cell_volume   305.039
_cell_formula_units_Z   4
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  0.509  0.999  0.002  1.0
  Li  Li1  1  0.991  0.501  0.998  1.0
  Li  Li2  1  0.996  0.999  0.490  1.0
  Li  Li3  1  0.504  0.501  0.510  1.0
  Li  Li4  1  0.500  0.999  0.499  1.0
  Li  Li5  1  1.000  0.501  0.501  1.0
  Li  Li6  1  0.250  0.750  0.500  1.0
  Li  Li7  1  0.750  0.250  0.500  1.0
  Ti  Ti8  1  0.250  0.250  0.000  1.0
  Ti  Ti9  1  0.750  0.750  1.000  1.0
  Ti  Ti10  1  0.009  0.997  0.989  1.0
  Ti  Ti11  1  0.491  0.503  0.011  1.0
  Cr  Cr12  1  0.750  0.250  0.000  1.0
  Cr  Cr13  1  0.250  0.250  0.500  1.0
  Cr  Cr14  1  0.250  0.750  1.000  1.0
  Cr  Cr15  1  0.750  0.750  0.500  1.0
  O  O16  1  0.370  0.600  0.231  1.0
  O  O17  1  0.890  0.130  0.240  1.0
  O  O18  1  0.630  0.864  0.235  1.0
  O  O19  1  0.119  0.359  0.241  1.0
  O  O20  1  0.381  0.141  0.760  1.0
  O  O21  1  0.871  0.636  0.765  1.0
  O  O22  1  0.610  0.370  0.760  1.0
  O  O23  1  0.130  0.900  0.769  1.0
  O  O24  1  0.359  0.131  0.247  1.0
  O  O25  1  0.855  0.625  0.236  1.0
  O  O26  1  0.389  0.625  0.770  1.0
  O  O27  1  0.884  0.131  0.772  1.0
  O  O28  1  0.616  0.369  0.228  1.0
  O  O29  1  0.111  0.875  0.230  1.0
  O  O30  1  0.645  0.875  0.764  1.0
  O  O31  1  0.141  0.369  0.753  1.0
[/CIF]
.