LiTi8O16 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), and two equivalent O(7) atoms. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Ti site, Ti(3) is bonded to one O(5), one O(9), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(5), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(1), one Ti(5), and two equivalent Ti(2) atoms.
LiTi8O16 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), and two equivalent O(7) atoms. The Li(1)-O(10) bond length is 1.86 Å. The Li(1)-O(3) bond length is 2.07 Å. Both Li(1)-O(7) bond lengths are 2.01 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(3), one O(4), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(2) bond length is 1.91 Å. The Ti(1)-O(3) bond length is 2.07 Å. The Ti(1)-O(4) bond length is 2.03 Å. The Ti(1)-O(7) bond length is 2.05 Å. The Ti(1)-O(9) bond length is 1.95 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. The Ti(2)-O(10) bond length is 2.00 Å. The Ti(2)-O(2) bond length is 1.98 Å. The Ti(2)-O(4) bond length is 1.97 Å. The Ti(2)-O(5) bond length is 1.99 Å. The Ti(2)-O(6) bond length is 2.07 Å. The Ti(2)-O(8) bond length is 1.94 Å. In the third Ti site, Ti(3) is bonded to one O(5), one O(9), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Ti(3)-O(5) bond length is 1.98 Å. The Ti(3)-O(9) bond length is 2.04 Å. Both Ti(3)-O(1) bond lengths are 1.94 Å. Both Ti(3)-O(7) bond lengths are 2.01 Å. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Ti(4)-O(1) bond length is 2.04 Å. The Ti(4)-O(2) bond length is 2.03 Å. The Ti(4)-O(4) bond length is 1.94 Å. The Ti(4)-O(6) bond length is 1.94 Å. The Ti(4)-O(7) bond length is 1.98 Å. The Ti(4)-O(8) bond length is 2.03 Å. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. The Ti(5)-O(10) bond length is 2.05 Å. The Ti(5)-O(3) bond length is 1.96 Å. Both Ti(5)-O(6) bond lengths are 1.93 Å. Both Ti(5)-O(8) bond lengths are 2.04 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(5), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(1), one Ti(5), and two equivalent Ti(2) atoms.