Li4Ti3Cr3(SbO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Cr(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(3), two equivalent Ti(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Cr(2) atoms to form distorted OLiTiCr2 tetrahedra that share corners with two equivalent O(12)LiCr2Sb tetrahedra and corners with four equivalent O(9)LiTiCrSb tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one Cr(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Cr(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Cr(2), and one Sb(2) atom to form distorted OLiTiCrSb tetrahedra that share  a cornercorner with one O(12)LiCr2Sb tetrahedra,  a cornercorner with one O(9)LiTiCrSb tetrahedra, corners with two equivalent O(5)LiTiCr2 tetrahedra,  an edgeedge with one O(12)LiCr2Sb tetrahedra, and  an edgeedge with one O(9)LiTiCrSb tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Cr(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Cr(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Cr(2), and one Sb(2) atom to form distorted OLiCr2Sb tetrahedra that share corners with two equivalent O(5)LiTiCr2 tetrahedra, corners with two equivalent O(9)LiTiCrSb tetrahedra, and edges with two equivalent O(9)LiTiCrSb tetrahedra.
Li4Ti3Cr3(SbO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. The Li(1)-O(12) bond length is 1.99 Å. The Li(1)-O(3) bond length is 2.12 Å. Both Li(1)-O(9) bond lengths are 2.00 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.82 Å. The Li(2)-O(7) bond length is 1.94 Å. Both Li(2)-O(11) bond lengths are 1.94 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.91 Å. The Li(3)-O(8) bond length is 1.98 Å. Both Li(3)-O(1) bond lengths are 2.01 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. The Li(4)-O(10) bond length is 2.24 Å. The Li(4)-O(2) bond length is 2.00 Å. Both Li(4)-O(6) bond lengths are 2.00 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. The Ti(1)-O(11) bond length is 2.13 Å. The Ti(1)-O(2) bond length is 1.94 Å. The Ti(1)-O(3) bond length is 1.99 Å. The Ti(1)-O(4) bond length is 2.01 Å. The Ti(1)-O(6) bond length is 1.85 Å. The Ti(1)-O(7) bond length is 2.09 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The Ti(2)-O(10) bond length is 1.96 Å. The Ti(2)-O(5) bond length is 1.97 Å. Both Ti(2)-O(1) bond lengths are 2.04 Å. Both Ti(2)-O(9) bond lengths are 1.97 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Cr(1)-O(3) bond length is 2.03 Å. The Cr(1)-O(4) bond length is 2.04 Å. Both Cr(1)-O(11) bond lengths are 2.04 Å. Both Cr(1)-O(6) bond lengths are 2.05 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The Cr(2)-O(1) bond length is 2.04 Å. The Cr(2)-O(10) bond length is 2.05 Å. The Cr(2)-O(12) bond length is 2.02 Å. The Cr(2)-O(5) bond length is 2.00 Å. The Cr(2)-O(8) bond length is 2.04 Å. The Cr(2)-O(9) bond length is 2.04 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. The Sb(1)-O(2) bond length is 2.58 Å. The Sb(1)-O(8) bond length is 2.07 Å. Both Sb(1)-O(1) bond lengths are 2.10 Å. Both Sb(1)-O(6) bond lengths are 2.56 Å. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Sb(2)-O(12) bond length is 2.19 Å. The Sb(2)-O(7) bond length is 2.14 Å. Both Sb(2)-O(11) bond lengths are 2.10 Å. Both Sb(2)-O(9) bond lengths are 2.24 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Cr(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(3), two equivalent Ti(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Cr(2) atoms to form distorted OLiTiCr2 tetrahedra that share corners with two equivalent O(12)LiCr2Sb tetrahedra and corners with four equivalent O(9)LiTiCrSb tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one Cr(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Cr(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Cr(2), and one Sb(2) atom to form distorted OLiTiCrSb tetrahedra that share  a cornercorner with one O(12)LiCr2Sb tetrahedra,  a cornercorner with one O(9)LiTiCrSb tetrahedra, corners with two equivalent O(5)LiTiCr2 tetrahedra,  an edgeedge with one O(12)LiCr2Sb tetrahedra, and  an edgeedge with one O(9)LiTiCrSb tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Cr(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Cr(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Cr(2), and one Sb(2) atom to form distorted OLiCr2Sb tetrahedra that share corners with two equivalent O(5)LiTiCr2 tetrahedra, corners with two equivalent O(9)LiTiCrSb tetrahedra, and edges with two equivalent O(9)LiTiCrSb tetrahedra.