Ti11O18 is beta indium sulfide-like structured and crystallizes in the triclinic P1 space group. There are eleven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(13), one O(16), one O(2), and one O(3) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), one O(14), one O(16), one O(2), and one O(8) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. In the third Ti site, Ti(3) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of distorted face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(15), one O(2), one O(4), one O(6), and one O(7) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the fifth Ti site, Ti(5) is bonded to one O(16), one O(17), one O(18), one O(3), 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 37-58°. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(11), one O(13), one O(14), one O(4), and one O(9) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. In the seventh Ti site, Ti(7) is bonded to one O(12), one O(14), one O(17), one O(18), one O(4), and one O(7) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the eighth Ti site, Ti(8) is bonded to one O(1), one O(12), one O(15), one O(2), one O(5), and one O(7) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the ninth Ti site, Ti(9) is bonded to one O(10), one O(15), one O(5), one O(6), one O(8), and one O(9) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the tenth Ti site, Ti(10) is bonded to one O(10), one O(12), one O(13), one O(14), one O(16), and one O(9) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the eleventh Ti site, Ti(11) is bonded to one O(12), one O(13), one O(15), one O(17), one O(18), and one O(4) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ti(8) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ti(8) atom 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 planar geometry to one Ti(1), one Ti(3), and one Ti(5) atom. In the fourth O site, O(4) is bonded to one Ti(11), one Ti(4), one Ti(6), and one Ti(7) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(3), one Ti(8), and one Ti(9) atom. In the sixth O site, O(6) is bonded to one Ti(3), one Ti(4), one Ti(5), and one Ti(9) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(3), one Ti(4), one Ti(7), and one Ti(8) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ti(2), one Ti(5), and one Ti(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ti(10), one Ti(3), one Ti(6), and one Ti(9) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ti(10), one Ti(3), one Ti(6), and one Ti(9) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Ti(1), one Ti(2), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ti(10), one Ti(11), one Ti(7), and one Ti(8) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(10), one Ti(11), and one Ti(6) atom. In the fourteenth O site, O(14) is bonded to one Ti(10), one Ti(2), one Ti(6), and one Ti(7) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Ti(11), one Ti(4), one Ti(8), and one Ti(9) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(10), one Ti(2), and one Ti(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one Ti(11), one Ti(5), and one Ti(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Ti(11), one Ti(5), and one Ti(7) atom.
Ti11O18 is beta indium sulfide-like structured and crystallizes in the triclinic P1 space group. There are eleven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(13), one O(16), one O(2), and one O(3) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The Ti(1)-O(1) bond length is 2.08 Å. The Ti(1)-O(11) bond length is 2.02 Å. The Ti(1)-O(13) bond length is 2.01 Å. The Ti(1)-O(16) bond length is 2.08 Å. The Ti(1)-O(2) bond length is 1.99 Å. The Ti(1)-O(3) bond length is 1.93 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), one O(14), one O(16), one O(2), and one O(8) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. The Ti(2)-O(1) bond length is 2.07 Å. The Ti(2)-O(11) bond length is 1.94 Å. The Ti(2)-O(14) bond length is 2.00 Å. The Ti(2)-O(16) bond length is 2.18 Å. The Ti(2)-O(2) bond length is 2.07 Å. The Ti(2)-O(8) bond length is 1.93 Å. In the third Ti site, Ti(3) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of distorted face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. The Ti(3)-O(10) bond length is 2.18 Å. The Ti(3)-O(3) bond length is 1.91 Å. The Ti(3)-O(5) bond length is 1.92 Å. The Ti(3)-O(6) bond length is 2.10 Å. The Ti(3)-O(7) bond length is 2.07 Å. The Ti(3)-O(9) bond length is 2.00 Å. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(15), one O(2), one O(4), one O(6), and one O(7) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. The Ti(4)-O(1) bond length is 2.00 Å. The Ti(4)-O(15) bond length is 2.07 Å. The Ti(4)-O(2) bond length is 2.06 Å. The Ti(4)-O(4) bond length is 2.00 Å. The Ti(4)-O(6) bond length is 2.01 Å. The Ti(4)-O(7) bond length is 2.06 Å. In the fifth Ti site, Ti(5) is bonded to one O(16), one O(17), one O(18), one O(3), 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 37-58°. The Ti(5)-O(16) bond length is 2.02 Å. The Ti(5)-O(17) bond length is 1.89 Å. The Ti(5)-O(18) bond length is 2.00 Å. The Ti(5)-O(3) bond length is 2.05 Å. The Ti(5)-O(6) bond length is 2.03 Å. The Ti(5)-O(8) bond length is 2.00 Å. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(11), one O(13), one O(14), one O(4), and one O(9) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. The Ti(6)-O(10) bond length is 1.99 Å. The Ti(6)-O(11) bond length is 1.89 Å. The Ti(6)-O(13) bond length is 2.07 Å. The Ti(6)-O(14) bond length is 2.06 Å. The Ti(6)-O(4) bond length is 1.99 Å. The Ti(6)-O(9) bond length is 2.11 Å. In the seventh Ti site, Ti(7) is bonded to one O(12), one O(14), one O(17), one O(18), one O(4), and one O(7) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Ti(7)-O(12) bond length is 2.07 Å. The Ti(7)-O(14) bond length is 2.01 Å. The Ti(7)-O(17) bond length is 2.03 Å. The Ti(7)-O(18) bond length is 1.94 Å. The Ti(7)-O(4) bond length is 2.09 Å. The Ti(7)-O(7) bond length is 2.00 Å. In the eighth Ti site, Ti(8) is bonded to one O(1), one O(12), one O(15), one O(2), one O(5), and one O(7) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-59°. The Ti(8)-O(1) bond length is 1.99 Å. The Ti(8)-O(12) bond length is 2.00 Å. The Ti(8)-O(15) bond length is 2.10 Å. The Ti(8)-O(2) bond length is 2.08 Å. The Ti(8)-O(5) bond length is 1.88 Å. The Ti(8)-O(7) bond length is 2.14 Å. In the ninth Ti site, Ti(9) is bonded to one O(10), one O(15), one O(5), one O(6), one O(8), and one O(9) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Ti(9)-O(10) bond length is 2.06 Å. The Ti(9)-O(15) bond length is 1.99 Å. The Ti(9)-O(5) bond length is 2.04 Å. The Ti(9)-O(6) bond length is 2.09 Å. The Ti(9)-O(8) bond length is 1.93 Å. The Ti(9)-O(9) bond length is 2.01 Å. In the tenth Ti site, Ti(10) is bonded to one O(10), one O(12), one O(13), one O(14), one O(16), and one O(9) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. The Ti(10)-O(10) bond length is 1.99 Å. The Ti(10)-O(12) bond length is 1.99 Å. The Ti(10)-O(13) bond length is 2.08 Å. The Ti(10)-O(14) bond length is 2.08 Å. The Ti(10)-O(16) bond length is 2.00 Å. The Ti(10)-O(9) bond length is 2.09 Å. In the eleventh Ti site, Ti(11) is bonded to one O(12), one O(13), one O(15), one O(17), one O(18), and one O(4) atom to form a mixture of face, corner, and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. The Ti(11)-O(12) bond length is 2.13 Å. The Ti(11)-O(13) bond length is 2.00 Å. The Ti(11)-O(15) bond length is 2.08 Å. The Ti(11)-O(17) bond length is 1.95 Å. The Ti(11)-O(18) bond length is 1.92 Å. The Ti(11)-O(4) bond length is 2.09 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ti(8) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ti(8) atom 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 planar geometry to one Ti(1), one Ti(3), and one Ti(5) atom. In the fourth O site, O(4) is bonded to one Ti(11), one Ti(4), one Ti(6), and one Ti(7) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(3), one Ti(8), and one Ti(9) atom. In the sixth O site, O(6) is bonded to one Ti(3), one Ti(4), one Ti(5), and one Ti(9) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(3), one Ti(4), one Ti(7), and one Ti(8) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ti(2), one Ti(5), and one Ti(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ti(10), one Ti(3), one Ti(6), and one Ti(9) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ti(10), one Ti(3), one Ti(6), and one Ti(9) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Ti(1), one Ti(2), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ti(10), one Ti(11), one Ti(7), and one Ti(8) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(10), one Ti(11), and one Ti(6) atom. In the fourteenth O site, O(14) is bonded to one Ti(10), one Ti(2), one Ti(6), and one Ti(7) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Ti(11), one Ti(4), one Ti(8), and one Ti(9) atom to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(10), one Ti(2), and one Ti(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one Ti(11), one Ti(5), and one Ti(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Ti(11), one Ti(5), and one Ti(7) atom.