CuTl2Se2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Tl(1) is bonded in a rectangular see-saw-like geometry to four equivalent Se(1) atoms. Se(1) is bonded to one Cu(1) and four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing SeTl4Cu square pyramids.
CuTl2Se2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Both Cu(1)-Se(1) bond lengths are 2.24 Å. Tl(1) is bonded in a rectangular see-saw-like geometry to four equivalent Se(1) atoms. All Tl(1)-Se(1) bond lengths are 3.13 Å. Se(1) is bonded to one Cu(1) and four equivalent Tl(1) atoms to form a mixture of corner and edge-sharing SeTl4Cu square pyramids.