Ti7(WO5)6 crystallizes in the trigonal P3 space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(8) atoms. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(3)O6 octahedra and corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. There are six inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the third W site, W(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form WO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the fourth W site, W(4) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the fifth W site, W(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth W site, W(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form WO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one W(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(3) and one W(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(7), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(5), one Ti(6), and one W(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(3) and one W(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(5), one Ti(6), and one W(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(7), and one W(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one W(2) atom.
Ti7(WO5)6 crystallizes in the trigonal P3 space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. All Ti(1)-O(3) bond lengths are 2.15 Å. All Ti(1)-O(9) bond lengths are 1.87 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. All Ti(2)-O(10) bond lengths are 1.86 Å. All Ti(2)-O(5) bond lengths are 2.12 Å. In the third Ti site, Ti(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Ti(3)-O(5) bond lengths are 1.99 Å. All Ti(3)-O(6) bond lengths are 1.95 Å. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. All Ti(4)-O(10) bond lengths are 2.15 Å. All Ti(4)-O(5) bond lengths are 1.85 Å. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(8) atoms. All Ti(5)-O(4) bond lengths are 1.88 Å. All Ti(5)-O(8) bond lengths are 2.15 Å. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(3)O6 octahedra and corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. All Ti(6)-O(4) bond lengths are 2.23 Å. All Ti(6)-O(8) bond lengths are 1.87 Å. In the seventh Ti site, Ti(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. All Ti(7)-O(3) bond lengths are 1.87 Å. All Ti(7)-O(9) bond lengths are 2.19 Å. There are six inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. All W(1)-O(3) bond lengths are 2.05 Å. All W(1)-O(7) bond lengths are 1.87 Å. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 34°. All W(2)-O(1) bond lengths are 1.87 Å. All W(2)-O(10) bond lengths are 2.08 Å. In the third W site, W(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form WO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. All W(3)-O(2) bond lengths are 1.87 Å. All W(3)-O(8) bond lengths are 2.06 Å. In the fourth W site, W(4) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-48°. All W(4)-O(1) bond lengths are 2.03 Å. All W(4)-O(9) bond lengths are 2.08 Å. In the fifth W site, W(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All W(5)-O(2) bond lengths are 1.96 Å. All W(5)-O(7) bond lengths are 1.94 Å. In the sixth W site, W(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form WO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-47°. All W(6)-O(4) bond lengths are 2.12 Å. All W(6)-O(6) bond lengths are 1.85 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one W(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(3) and one W(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(7), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(5), one Ti(6), and one W(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(3) and one W(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(5), one Ti(6), and one W(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(7), and one W(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one W(2) atom.