Li4Ti11O24 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(7), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(3), one O(9), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to two equivalent O(9) and four equivalent O(1) 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 Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Ti(1), and one Ti(3) atom. In the second O site, O(3) is bonded to one Li(2), one Ti(2), and two equivalent Ti(4) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the third O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the fourth O site, O(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ti(1) atoms. In the fifth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(1) atoms. In the sixth O site, O(7) is bonded to one Li(1), one Ti(3), and two equivalent Ti(4) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the seventh O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the eighth O site, O(9) is bonded to one Li(2), one Ti(5), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLiTi3 tetrahedra. In the ninth O site, O(1) is bonded to one Li(1), one Ti(1), one Ti(2), and one Ti(5) atom to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids.
Li4Ti11O24 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(7), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(7) bond length is 1.99 Å. Both Li(1)-O(1) bond lengths are 2.01 Å. In the second Li site, Li(2) is bonded to one O(3), one O(9), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. The Li(2)-O(3) bond length is 1.96 Å. The Li(2)-O(9) bond length is 2.08 Å. Both Li(2)-O(2) bond lengths are 1.95 Å. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The Ti(1)-O(1) bond length is 2.13 Å. The Ti(1)-O(2) bond length is 1.88 Å. The Ti(1)-O(4) bond length is 2.08 Å. The Ti(1)-O(5) bond length is 1.90 Å. The Ti(1)-O(6) bond length is 1.99 Å. The Ti(1)-O(9) bond length is 1.99 Å. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The Ti(2)-O(3) bond length is 2.19 Å. The Ti(2)-O(4) bond length is 1.85 Å. Both Ti(2)-O(1) bond lengths are 2.02 Å. Both Ti(2)-O(8) bond lengths are 1.93 Å. In the third Ti site, Ti(3) is bonded to one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The Ti(3)-O(6) bond length is 1.95 Å. The Ti(3)-O(7) bond length is 2.07 Å. Both Ti(3)-O(2) bond lengths are 1.90 Å. Both Ti(3)-O(8) bond lengths are 2.09 Å. In the fourth Ti site, Ti(4) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. Both Ti(4)-O(3) bond lengths are 1.97 Å. Both Ti(4)-O(7) bond lengths are 2.03 Å. Both Ti(4)-O(8) bond lengths are 1.96 Å. In the fifth Ti site, Ti(5) is bonded to two equivalent O(9) and four equivalent O(1) 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 Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Both Ti(5)-O(9) bond lengths are 2.02 Å. All Ti(5)-O(1) bond lengths are 1.98 Å. There are nine inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Ti(1), and one Ti(3) atom. In the second O site, O(3) is bonded to one Li(2), one Ti(2), and two equivalent Ti(4) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the third O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the fourth O site, O(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ti(1) atoms. In the fifth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(1) atoms. In the sixth O site, O(7) is bonded to one Li(1), one Ti(3), and two equivalent Ti(4) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the seventh O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the eighth O site, O(9) is bonded to one Li(2), one Ti(5), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLiTi3 tetrahedra. In the ninth O site, O(1) is bonded to one Li(1), one Ti(1), one Ti(2), and one Ti(5) atom to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids.