Ti11O14 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the third Ti site, Ti(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fifth Ti site, Ti(5) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth Ti site, Ti(6) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(5), two equivalent Ti(2), and two equivalent Ti(6) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), and one Ti(6) atom to form a mixture of edge and corner-sharing OTi5 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), one Ti(5), and one Ti(6) atom. In the fourth O site, O(4) is bonded to one Ti(3), two equivalent Ti(1), and two equivalent Ti(4) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids.
Ti11O14 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Both Ti(1)-O(2) bond lengths are 2.11 Å. There are two shorter (2.09 Å) and two longer (2.12 Å) Ti(1)-O(4) bond lengths. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Ti(2)-O(1) bond lengths are 2.10 Å. Both Ti(2)-O(2) bond lengths are 2.07 Å. Both Ti(2)-O(3) bond lengths are 2.08 Å. In the third Ti site, Ti(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Ti(3)-O(2) bond lengths are 2.13 Å. Both Ti(3)-O(3) bond lengths are 2.03 Å. Both Ti(3)-O(4) bond lengths are 2.14 Å. In the fourth Ti site, Ti(4) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Both Ti(4)-O(2) bond lengths are 2.07 Å. There are two shorter (2.07 Å) and two longer (2.15 Å) Ti(4)-O(4) bond lengths. In the fifth Ti site, Ti(5) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 2°. Both Ti(5)-O(1) bond lengths are 2.11 Å. All Ti(5)-O(3) bond lengths are 2.07 Å. In the sixth Ti site, Ti(6) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Ti(6)-O(1) bond lengths are 2.11 Å. Both Ti(6)-O(2) bond lengths are 2.08 Å. Both Ti(6)-O(3) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(5), two equivalent Ti(2), and two equivalent Ti(6) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), and one Ti(6) atom to form a mixture of edge and corner-sharing OTi5 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), one Ti(5), and one Ti(6) atom. In the fourth O site, O(4) is bonded to one Ti(3), two equivalent Ti(1), and two equivalent Ti(4) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids.