CuTl2I3 crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded in a 4-coordinate geometry to one I(2), one I(3), and two equivalent I(1) atoms. Tl(1) is bonded in a 3-coordinate geometry to one I(1), one I(2), and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Tl(1) atoms. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Tl(1) atoms. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Tl(1) atoms.
CuTl2I3 crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded in a 4-coordinate geometry to one I(2), one I(3), and two equivalent I(1) atoms. The Cu(1)-I(2) bond length is 2.65 Å. The Cu(1)-I(3) bond length is 2.68 Å. Both Cu(1)-I(1) bond lengths are 2.68 Å. Tl(1) is bonded in a 3-coordinate geometry to one I(1), one I(2), and one I(3) atom. The Tl(1)-I(1) bond length is 3.51 Å. The Tl(1)-I(2) bond length is 3.51 Å. The Tl(1)-I(3) bond length is 3.49 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Tl(1) atoms. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Tl(1) atoms. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Tl(1) atoms.