Ti6O11 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(5), one O(7), one O(9), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the second Ti site, Ti(2) is bonded to one O(5), two equivalent O(9), and three equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 19-23°. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(4), one O(6), 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 4-55°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(2), one O(7), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 14-41°. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(2), two equivalent O(4), 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 4-27°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), one O(3), one O(5), 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 19-55°. There are eleven inequivalent O sites. In the first O site, O(7) is bonded to one Ti(1), one Ti(4), and two equivalent Ti(6) atoms to form distorted corner-sharing OTi4 trigonal pyramids. In the second O site, O(8) is bonded in a distorted T-shaped geometry to three equivalent Ti(2) atoms. In the third O site, O(9) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fourth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Ti(6) atom. In the fifth O site, O(11) is bonded in a T-shaped geometry to one Ti(3), one Ti(4), and one Ti(5) atom. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(6), and two equivalent Ti(4) atoms. In the seventh O site, O(2) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(3) atoms to form corner-sharing OTi4 trigonal pyramids. In the eighth O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(6) and two equivalent Ti(1) atoms. In the ninth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(5) atoms. In the tenth O site, O(5) is bonded in a T-shaped geometry to one Ti(1), one Ti(2), and one Ti(6) atom. In the eleventh O site, O(6) is bonded in a T-shaped geometry to one Ti(3) and two equivalent Ti(5) atoms.
Ti6O11 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(5), one O(7), one O(9), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. The Ti(1)-O(10) bond length is 2.01 Å. The Ti(1)-O(5) bond length is 1.93 Å. The Ti(1)-O(7) bond length is 2.15 Å. The Ti(1)-O(9) bond length is 1.90 Å. Both Ti(1)-O(3) bond lengths are 1.94 Å. In the second Ti site, Ti(2) is bonded to one O(5), two equivalent O(9), and three equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 19-23°. The Ti(2)-O(5) bond length is 2.00 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) Ti(2)-O(9) bond length. There are two shorter (1.92 Å) and one longer (2.00 Å) Ti(2)-O(8) bond length. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(4), one O(6), 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 4-55°. The Ti(3)-O(1) bond length is 2.30 Å. The Ti(3)-O(11) bond length is 1.91 Å. The Ti(3)-O(4) bond length is 2.05 Å. The Ti(3)-O(6) bond length is 1.86 Å. Both Ti(3)-O(2) bond lengths are 1.95 Å. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(2), one O(7), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 14-41°. The Ti(4)-O(10) bond length is 1.96 Å. The Ti(4)-O(11) bond length is 1.87 Å. The Ti(4)-O(2) bond length is 2.15 Å. The Ti(4)-O(7) bond length is 2.19 Å. Both Ti(4)-O(1) bond lengths are 2.01 Å. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(2), two equivalent O(4), 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 4-27°. The Ti(5)-O(11) bond length is 2.04 Å. The Ti(5)-O(2) bond length is 2.22 Å. Both Ti(5)-O(4) bond lengths are 1.93 Å. Both Ti(5)-O(6) bond lengths are 1.98 Å. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), one O(3), one O(5), 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 19-55°. The Ti(6)-O(1) bond length is 2.13 Å. The Ti(6)-O(10) bond length is 1.89 Å. The Ti(6)-O(3) bond length is 2.03 Å. The Ti(6)-O(5) bond length is 1.94 Å. Both Ti(6)-O(7) bond lengths are 1.95 Å. There are eleven inequivalent O sites. In the first O site, O(7) is bonded to one Ti(1), one Ti(4), and two equivalent Ti(6) atoms to form distorted corner-sharing OTi4 trigonal pyramids. In the second O site, O(8) is bonded in a distorted T-shaped geometry to three equivalent Ti(2) atoms. In the third O site, O(9) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fourth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Ti(6) atom. In the fifth O site, O(11) is bonded in a T-shaped geometry to one Ti(3), one Ti(4), and one Ti(5) atom. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(6), and two equivalent Ti(4) atoms. In the seventh O site, O(2) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(3) atoms to form corner-sharing OTi4 trigonal pyramids. In the eighth O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(6) and two equivalent Ti(1) atoms. In the ninth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(5) atoms. In the tenth O site, O(5) is bonded in a T-shaped geometry to one Ti(1), one Ti(2), and one Ti(6) atom. In the eleventh O site, O(6) is bonded in a T-shaped geometry to one Ti(3) and two equivalent Ti(5) atoms.