MoTe6(OF5)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MoTe6(OF5)6 cluster. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Te(1)OF5 octahedra, corners with two equivalent Te(2)OF5 octahedra, and corners with two equivalent Te(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Te site, Te(2) is bonded to one O(2), one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the third Te site, Te(3) is bonded to one O(3), one F(11), one F(12), one F(13), one F(14), and one F(15) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(3) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Te(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Te(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Te(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Te(2) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Te(2) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Te(2) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Te(3) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Te(3) atom. In the thirteenth F site, F(13) is bonded in a single-bond geometry to one Te(3) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Te(3) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one Te(3) atom.
MoTe6(OF5)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MoTe6(OF5)6 cluster. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Te(1)OF5 octahedra, corners with two equivalent Te(2)OF5 octahedra, and corners with two equivalent Te(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Both Mo(1)-O(1) bond lengths are 1.93 Å. Both Mo(1)-O(2) bond lengths are 1.93 Å. Both Mo(1)-O(3) bond lengths are 1.93 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. The Te(1)-O(1) bond length is 1.92 Å. The Te(1)-F(1) bond length is 1.87 Å. The Te(1)-F(2) bond length is 1.87 Å. The Te(1)-F(3) bond length is 1.87 Å. The Te(1)-F(4) bond length is 1.87 Å. The Te(1)-F(5) bond length is 1.87 Å. In the second Te site, Te(2) is bonded to one O(2), one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. The Te(2)-O(2) bond length is 1.92 Å. The Te(2)-F(10) bond length is 1.87 Å. The Te(2)-F(6) bond length is 1.87 Å. The Te(2)-F(7) bond length is 1.87 Å. The Te(2)-F(8) bond length is 1.87 Å. The Te(2)-F(9) bond length is 1.87 Å. In the third Te site, Te(3) is bonded to one O(3), one F(11), one F(12), one F(13), one F(14), and one F(15) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. The Te(3)-O(3) bond length is 1.92 Å. The Te(3)-F(11) bond length is 1.87 Å. The Te(3)-F(12) bond length is 1.87 Å. The Te(3)-F(13) bond length is 1.87 Å. The Te(3)-F(14) bond length is 1.87 Å. The Te(3)-F(15) bond length is 1.87 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(3) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Te(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Te(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Te(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Te(2) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Te(2) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Te(2) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Te(3) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Te(3) atom. In the thirteenth F site, F(13) is bonded in a single-bond geometry to one Te(3) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Te(3) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one Te(3) atom.