Li2Ti7O15 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), two equivalent O(5), and three equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Ti site, Ti(2) is bonded to one O(6), two equivalent O(3), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Ti site, Ti(3) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OLiTi3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ti(3) atom. In the eighth O site, O(8) is bonded in a square co-planar geometry to four equivalent Ti(3) atoms.
Li2Ti7O15 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(4) bond length is 1.91 Å. Both Li(1)-O(7) bond lengths are 1.86 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), two equivalent O(5), and three equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Ti(1)-O(3) bond length is 2.05 Å. Both Ti(1)-O(5) bond lengths are 1.89 Å. There is one shorter (1.93 Å) and two longer (2.09 Å) Ti(1)-O(4) bond lengths. In the second Ti site, Ti(2) is bonded to one O(6), two equivalent O(3), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Ti(2)-O(6) bond length is 1.97 Å. Both Ti(2)-O(3) bond lengths are 1.96 Å. There are two shorter (1.98 Å) and one longer (2.12 Å) Ti(2)-O(2) bond length. In the third Ti site, Ti(3) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. The Ti(3)-O(5) bond length is 2.33 Å. The Ti(3)-O(7) bond length is 1.70 Å. Both Ti(3)-O(1) bond lengths are 1.99 Å. Both Ti(3)-O(8) bond lengths are 2.14 Å. In the fourth Ti site, Ti(4) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. Both Ti(4)-O(1) bond lengths are 1.99 Å. All Ti(4)-O(6) bond lengths are 2.00 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OLiTi3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ti(3) atom. In the eighth O site, O(8) is bonded in a square co-planar geometry to four equivalent Ti(3) atoms.