Li2Ti6O13 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(7) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(7), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(5), and three equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the third Ti site, Ti(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-31°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(1) atoms. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(1), one Ti(1), and one Ti(3) atom.
Li2Ti6O13 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(7) atom. The Li(1)-O(1) bond length is 2.48 Å. The Li(1)-O(3) bond length is 1.86 Å. The Li(1)-O(5) bond length is 1.92 Å. The Li(1)-O(7) bond length is 2.00 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(7), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. The Ti(1)-O(1) bond length is 1.84 Å. The Ti(1)-O(2) bond length is 2.15 Å. The Ti(1)-O(3) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 1.95 Å. Both Ti(1)-O(6) bond lengths are 1.94 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(5), and three equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. The Ti(2)-O(2) bond length is 2.22 Å. The Ti(2)-O(3) bond length is 1.81 Å. The Ti(2)-O(5) bond length is 1.82 Å. There are two shorter (1.97 Å) and one longer (2.16 Å) Ti(2)-O(4) bond length. In the third Ti site, Ti(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-31°. The Ti(3)-O(4) bond length is 2.22 Å. The Ti(3)-O(5) bond length is 1.94 Å. The Ti(3)-O(6) bond length is 2.02 Å. The Ti(3)-O(7) bond length is 1.78 Å. Both Ti(3)-O(2) bond lengths are 1.95 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(1) atoms. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(1), one Ti(1), and one Ti(3) atom.