TlSbSe2 crystallizes in the orthorhombic Cmmm space group. Tl(1) is bonded to four equivalent Sb(1) and two equivalent Se(1) atoms to form a mixture of corner and edge-sharing TlSb4Se2 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a square co-planar geometry to four equivalent Tl(1) atoms. Se(1) is bonded in a trigonal planar geometry to one Tl(1) and two equivalent Se(1) atoms.
TlSbSe2 crystallizes in the orthorhombic Cmmm space group. Tl(1) is bonded to four equivalent Sb(1) and two equivalent Se(1) atoms to form a mixture of corner and edge-sharing TlSb4Se2 octahedra. The corner-sharing octahedra are not tilted. All Tl(1)-Sb(1) bond lengths are 3.03 Å. Both Tl(1)-Se(1) bond lengths are 3.26 Å. Sb(1) is bonded in a square co-planar geometry to four equivalent Tl(1) atoms. Se(1) is bonded in a trigonal planar geometry to one Tl(1) and two equivalent Se(1) atoms. Both Se(1)-Se(1) bond lengths are 2.43 Å.