Ti2Cu3Te3O16 crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(6) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted CuO6 octahedra that share edges with four equivalent Te(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form TeO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Cu(2), and one Te(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Te(2) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted water-like geometry to two equivalent Te(2) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ti(2), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Te(2) atoms. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(2), one Cu(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Te(2) atoms.
Ti2Cu3Te3O16 crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(6) atoms. The Ti(1)-O(2) bond length is 1.79 Å. Both Ti(1)-O(1) bond lengths are 2.12 Å. Both Ti(1)-O(6) bond lengths are 1.93 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. The Ti(2)-O(12) bond length is 2.37 Å. The Ti(2)-O(7) bond length is 1.77 Å. Both Ti(2)-O(11) bond lengths are 1.88 Å. Both Ti(2)-O(9) bond lengths are 2.20 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. The Cu(1)-O(11) bond length is 2.39 Å. The Cu(1)-O(2) bond length is 2.02 Å. The Cu(1)-O(3) bond length is 1.98 Å. The Cu(1)-O(4) bond length is 1.99 Å. The Cu(1)-O(6) bond length is 2.54 Å. The Cu(1)-O(7) bond length is 2.00 Å. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted CuO6 octahedra that share edges with four equivalent Te(2)O6 octahedra. The Cu(2)-O(10) bond length is 2.41 Å. The Cu(2)-O(5) bond length is 2.35 Å. Both Cu(2)-O(1) bond lengths are 2.06 Å. Both Cu(2)-O(9) bond lengths are 2.01 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms. The Te(1)-O(3) bond length is 1.98 Å. The Te(1)-O(4) bond length is 1.94 Å. Both Te(1)-O(11) bond lengths are 1.99 Å. Both Te(1)-O(6) bond lengths are 1.97 Å. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form TeO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. The Te(2)-O(1) bond length is 1.94 Å. The Te(2)-O(10) bond length is 1.99 Å. The Te(2)-O(12) bond length is 2.02 Å. The Te(2)-O(5) bond length is 1.99 Å. The Te(2)-O(8) bond length is 1.99 Å. The Te(2)-O(9) bond length is 1.94 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Cu(2), and one Te(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Te(2) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted water-like geometry to two equivalent Te(2) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ti(2), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Te(2) atoms. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(2), one Cu(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Te(2) atoms.