TiCuTlTe3 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Te(2), two equivalent Te(1), and three equivalent Te(3) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. Tl(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Cu(1), and two equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent Tl(1) atoms.
TiCuTlTe3 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Te(2), two equivalent Te(1), and three equivalent Te(3) atoms. Both Ti(1)-Cu(1) bond lengths are 3.06 Å. The Ti(1)-Te(2) bond length is 2.70 Å. Both Ti(1)-Te(1) bond lengths are 2.79 Å. There are two shorter (2.86 Å) and one longer (2.88 Å) Ti(1)-Te(3) bond length. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. Both Cu(1)-Cu(1) bond lengths are 2.84 Å. The Cu(1)-Te(1) bond length is 2.60 Å. There are two shorter (2.64 Å) and one longer (2.69 Å) Cu(1)-Te(2) bond length. Tl(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(3) atoms. Both Tl(1)-Te(1) bond lengths are 3.51 Å. Both Tl(1)-Te(3) bond lengths are 3.37 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Cu(1), and two equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent Tl(1) atoms.