CuTl4Te3 crystallizes in the tetragonal I4/mcm space group. Cu(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form corner-sharing CuTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-40°. Tl(1) is bonded in a 3-coordinate geometry to two equivalent Te(1) and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted linear geometry to two equivalent Cu(1) and eight equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1) and six equivalent Tl(1) atoms.
CuTl4Te3 crystallizes in the tetragonal I4/mcm space group. Cu(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form corner-sharing CuTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-40°. Both Cu(1)-Te(1) bond lengths are 3.10 Å. All Cu(1)-Te(2) bond lengths are 3.31 Å. Tl(1) is bonded in a 3-coordinate geometry to two equivalent Te(1) and three equivalent Te(2) atoms. Both Tl(1)-Te(1) bond lengths are 3.55 Å. There is one shorter (3.09 Å) and two longer (3.35 Å) Tl(1)-Te(2) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted linear geometry to two equivalent Cu(1) and eight equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1) and six equivalent Tl(1) atoms.