The compound described by Li4TiCrO6 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with six equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the second Li site, Li(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Li(6)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with six equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the eighth Li site, Li(8) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the ninth Li site, Li(9) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Ti site, Ti(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Li(1), one Li(5), two equivalent Li(9), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(6), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), two equivalent Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), two equivalent Li(9), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), two equivalent Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(6), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), two equivalent Li(9), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), two equivalent Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(6), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twelfth O site, O(12) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. is represented by the CIF file [CIF]
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.044
_cell_length_b   5.056
_cell_length_c   19.399
_cell_angle_alpha   85.059
_cell_angle_beta   86.948
_cell_angle_gamma   60.553
_symmetry_Int_Tables_number   1
_cell_volume   429.188
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.502  0.377  0.875  1.0
  Li  Li2  1  0.180  0.410  0.750  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.499  0.873  0.375  1.0
  Li  Li5  1  0.492  0.751  0.750  1.0
  Li  Li6  1  0.175  0.910  0.249  1.0
  Li  Li7  1  0.508  0.249  0.250  1.0
  Li  Li8  1  0.819  0.332  1.000  1.0
  Li  Li9  1  0.175  0.156  0.500  1.0
  Li  Li10  1  0.825  0.844  0.500  1.0
  Li  Li11  1  0.181  0.668  0.000  1.0
  Li  Li12  1  0.825  0.090  0.751  1.0
  Li  Li13  1  0.501  0.127  0.625  1.0
  Li  Li14  1  0.820  0.590  0.250  1.0
  Li  Li15  1  0.498  0.623  0.125  1.0
  Ti  Ti16  1  0.832  0.456  0.625  1.0
  Ti  Ti17  1  0.168  0.296  0.125  1.0
  Ti  Ti18  1  0.832  0.704  0.875  1.0
  Ti  Ti19  1  0.168  0.544  0.375  1.0
  Cr  Cr20  1  0.832  0.956  0.125  1.0
  Cr  Cr21  1  0.167  0.794  0.625  1.0
  Cr  Cr22  1  0.833  0.206  0.375  1.0
  Cr  Cr23  1  0.168  0.044  0.875  1.0
  O  O24  1  0.501  0.460  0.683  1.0
  O  O25  1  0.494  0.789  0.568  1.0
  O  O26  1  0.507  0.961  0.182  1.0
  O  O27  1  0.145  0.348  0.931  1.0
  O  O28  1  0.146  0.504  0.569  1.0
  O  O29  1  0.498  0.290  0.067  1.0
  O  O30  1  0.855  0.397  0.818  1.0
  O  O31  1  0.147  0.854  0.432  1.0
  O  O32  1  0.141  0.999  0.069  1.0
  O  O33  1  0.146  0.753  0.819  1.0
  O  O34  1  0.860  0.751  0.681  1.0
  O  O35  1  0.853  0.902  0.319  1.0
  O  O36  1  0.147  0.098  0.681  1.0
  O  O37  1  0.140  0.249  0.319  1.0
  O  O38  1  0.854  0.247  0.181  1.0
  O  O39  1  0.859  0.001  0.931  1.0
  O  O40  1  0.853  0.146  0.568  1.0
  O  O41  1  0.145  0.603  0.182  1.0
  O  O42  1  0.502  0.710  0.933  1.0
  O  O43  1  0.854  0.496  0.431  1.0
  O  O44  1  0.855  0.652  0.069  1.0
  O  O45  1  0.493  0.039  0.818  1.0
  O  O46  1  0.506  0.211  0.432  1.0
  O  O47  1  0.499  0.540  0.317  1.0
[/CIF]
.
The compound described by Li4TiCrO6 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with six equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the second Li site, Li(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Li(6)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with six equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the eighth Li site, Li(8) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the ninth Li site, Li(9) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Ti site, Ti(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Li(1), one Li(5), two equivalent Li(9), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(6), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), two equivalent Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), two equivalent Li(9), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), two equivalent Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(6), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), two equivalent Li(9), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), two equivalent Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(6), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twelfth O site, O(12) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Ti(1), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. is represented by the CIF file [CIF]
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.044
_cell_length_b   5.056
_cell_length_c   19.399
_cell_angle_alpha   85.059
_cell_angle_beta   86.948
_cell_angle_gamma   60.553
_symmetry_Int_Tables_number   1
_cell_volume   429.188
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.502  0.377  0.875  1.0
  Li  Li2  1  0.180  0.410  0.750  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.499  0.873  0.375  1.0
  Li  Li5  1  0.492  0.751  0.750  1.0
  Li  Li6  1  0.175  0.910  0.249  1.0
  Li  Li7  1  0.508  0.249  0.250  1.0
  Li  Li8  1  0.819  0.332  1.000  1.0
  Li  Li9  1  0.175  0.156  0.500  1.0
  Li  Li10  1  0.825  0.844  0.500  1.0
  Li  Li11  1  0.181  0.668  0.000  1.0
  Li  Li12  1  0.825  0.090  0.751  1.0
  Li  Li13  1  0.501  0.127  0.625  1.0
  Li  Li14  1  0.820  0.590  0.250  1.0
  Li  Li15  1  0.498  0.623  0.125  1.0
  Ti  Ti16  1  0.832  0.456  0.625  1.0
  Ti  Ti17  1  0.168  0.296  0.125  1.0
  Ti  Ti18  1  0.832  0.704  0.875  1.0
  Ti  Ti19  1  0.168  0.544  0.375  1.0
  Cr  Cr20  1  0.832  0.956  0.125  1.0
  Cr  Cr21  1  0.167  0.794  0.625  1.0
  Cr  Cr22  1  0.833  0.206  0.375  1.0
  Cr  Cr23  1  0.168  0.044  0.875  1.0
  O  O24  1  0.501  0.460  0.683  1.0
  O  O25  1  0.494  0.789  0.568  1.0
  O  O26  1  0.507  0.961  0.182  1.0
  O  O27  1  0.145  0.348  0.931  1.0
  O  O28  1  0.146  0.504  0.569  1.0
  O  O29  1  0.498  0.290  0.067  1.0
  O  O30  1  0.855  0.397  0.818  1.0
  O  O31  1  0.147  0.854  0.432  1.0
  O  O32  1  0.141  0.999  0.069  1.0
  O  O33  1  0.146  0.753  0.819  1.0
  O  O34  1  0.860  0.751  0.681  1.0
  O  O35  1  0.853  0.902  0.319  1.0
  O  O36  1  0.147  0.098  0.681  1.0
  O  O37  1  0.140  0.249  0.319  1.0
  O  O38  1  0.854  0.247  0.181  1.0
  O  O39  1  0.859  0.001  0.931  1.0
  O  O40  1  0.853  0.146  0.568  1.0
  O  O41  1  0.145  0.603  0.182  1.0
  O  O42  1  0.502  0.710  0.933  1.0
  O  O43  1  0.854  0.496  0.431  1.0
  O  O44  1  0.855  0.652  0.069  1.0
  O  O45  1  0.493  0.039  0.818  1.0
  O  O46  1  0.506  0.211  0.432  1.0
  O  O47  1  0.499  0.540  0.317  1.0
[/CIF]
.