Li4Ti11O24 is beta indium sulfide-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(2), one O(8), and two equivalent O(18) 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 Li(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(16), one O(17), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the third Li site, Li(3) is bonded to one O(14), one O(15), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fourth Li site, Li(4) is bonded to one O(17), one O(5), two equivalent O(18), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(16), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(12), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(15), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(14), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), two equivalent O(13), and two equivalent O(18) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(12), one O(14), one O(17), one O(18), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. In the eighth Ti site, Ti(8) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(6) and two equivalent Ti(8) atoms. In the second O site, O(2) is bonded to one Li(1), one Ti(2), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(4) and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(7) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Ti(5), and two equivalent Ti(3) atoms to form distorted corner-sharing OLiTi3 tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(6) and two equivalent Ti(7) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(3), one Ti(4), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Ti(8) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Ti(5), and two equivalent Ti(7) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(3), one Ti(4), and two equivalent Ti(8) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Ti(1), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), and two equivalent Ti(7) atoms. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Ti(6), and one Ti(7) atom.
Li4Ti11O24 is beta indium sulfide-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(2), one O(8), and two equivalent O(18) 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 Li(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(8) bond length is 2.03 Å. Both Li(1)-O(18) bond lengths are 1.99 Å. In the second Li site, Li(2) is bonded to one O(16), one O(17), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(2)-O(16) bond length is 2.03 Å. The Li(2)-O(17) bond length is 2.00 Å. Both Li(2)-O(11) bond lengths are 2.01 Å. In the third Li site, Li(3) is bonded to one O(14), one O(15), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(3)-O(14) bond length is 2.02 Å. The Li(3)-O(15) bond length is 1.99 Å. Both Li(3)-O(4) bond lengths are 1.99 Å. In the fourth Li site, Li(4) is bonded to one O(17), one O(5), two equivalent O(18), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. The Li(4)-O(17) bond length is 2.14 Å. The Li(4)-O(5) bond length is 2.12 Å. Both Li(4)-O(18) bond lengths are 2.13 Å. Both Li(4)-O(4) bond lengths are 2.13 Å. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(16), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. The Ti(1)-O(16) bond length is 2.03 Å. The Ti(1)-O(6) bond length is 1.97 Å. Both Ti(1)-O(3) bond lengths are 2.04 Å. Both Ti(1)-O(4) bond lengths are 1.92 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(12), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. The Ti(2)-O(2) bond length is 2.15 Å. The Ti(2)-O(7) bond length is 1.87 Å. Both Ti(2)-O(12) bond lengths are 2.00 Å. Both Ti(2)-O(3) bond lengths are 1.96 Å. In the third Ti site, Ti(3) is bonded to one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The Ti(3)-O(11) bond length is 2.09 Å. The Ti(3)-O(4) bond length is 1.91 Å. The Ti(3)-O(5) bond length is 1.87 Å. The Ti(3)-O(6) bond length is 1.98 Å. The Ti(3)-O(8) bond length is 2.03 Å. The Ti(3)-O(9) bond length is 2.07 Å. In the fourth Ti site, Ti(4) is bonded to one O(15), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. The Ti(4)-O(15) bond length is 2.17 Å. The Ti(4)-O(9) bond length is 1.85 Å. Both Ti(4)-O(11) bond lengths are 2.03 Å. Both Ti(4)-O(13) bond lengths are 1.94 Å. In the fifth Ti site, Ti(5) is bonded to one O(14), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. The Ti(5)-O(14) bond length is 2.04 Å. The Ti(5)-O(8) bond length is 2.01 Å. Both Ti(5)-O(11) bond lengths are 2.01 Å. Both Ti(5)-O(12) bond lengths are 1.94 Å. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), two equivalent O(13), and two equivalent O(18) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. The Ti(6)-O(1) bond length is 1.99 Å. The Ti(6)-O(10) bond length is 1.99 Å. Both Ti(6)-O(13) bond lengths are 2.07 Å. Both Ti(6)-O(18) bond lengths are 1.91 Å. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(12), one O(14), one O(17), one O(18), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. The Ti(7)-O(10) bond length is 1.96 Å. The Ti(7)-O(12) bond length is 2.04 Å. The Ti(7)-O(14) bond length is 2.04 Å. The Ti(7)-O(17) bond length is 1.91 Å. The Ti(7)-O(18) bond length is 1.92 Å. The Ti(7)-O(7) bond length is 2.05 Å. In the eighth Ti site, Ti(8) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. The Ti(8)-O(1) bond length is 1.97 Å. The Ti(8)-O(13) bond length is 1.97 Å. The Ti(8)-O(15) bond length is 1.99 Å. The Ti(8)-O(16) bond length is 2.04 Å. The Ti(8)-O(2) bond length is 1.99 Å. The Ti(8)-O(3) bond length is 1.96 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(6) and two equivalent Ti(8) atoms. In the second O site, O(2) is bonded to one Li(1), one Ti(2), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(4) and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(7) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Ti(5), and two equivalent Ti(3) atoms to form distorted corner-sharing OLiTi3 tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(6) and two equivalent Ti(7) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(3), one Ti(4), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Ti(8) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Ti(5), and two equivalent Ti(7) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(3), one Ti(4), and two equivalent Ti(8) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Ti(1), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), and two equivalent Ti(7) atoms. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Ti(6), and one Ti(7) atom.