IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Ir(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Tl(1) atoms. Cu(1) is bonded to four equivalent Ir(1) and six equivalent Tl(1) atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent Tl(1)Cu6Ir4 tetrahedra, corners with six equivalent Cu(1)Tl6Ir4 tetrahedra, edges with six equivalent Tl(1)Cu6Ir4 tetrahedra, and faces with twelve equivalent Cu(1)Tl6Ir4 tetrahedra. Tl(1) is bonded to four equivalent Ir(1) and six equivalent Cu(1) atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent Cu(1)Tl6Ir4 tetrahedra, corners with six equivalent Tl(1)Cu6Ir4 tetrahedra, edges with six equivalent Cu(1)Tl6Ir4 tetrahedra, and faces with twelve equivalent Tl(1)Cu6Ir4 tetrahedra.
IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Ir(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Tl(1) atoms. All Ir(1)-Cu(1) bond lengths are 2.68 Å. All Ir(1)-Tl(1) bond lengths are 2.68 Å. Cu(1) is bonded to four equivalent Ir(1) and six equivalent Tl(1) atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent Tl(1)Cu6Ir4 tetrahedra, corners with six equivalent Cu(1)Tl6Ir4 tetrahedra, edges with six equivalent Tl(1)Cu6Ir4 tetrahedra, and faces with twelve equivalent Cu(1)Tl6Ir4 tetrahedra. All Cu(1)-Tl(1) bond lengths are 3.10 Å. Tl(1) is bonded to four equivalent Ir(1) and six equivalent Cu(1) atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent Cu(1)Tl6Ir4 tetrahedra, corners with six equivalent Tl(1)Cu6Ir4 tetrahedra, edges with six equivalent Cu(1)Tl6Ir4 tetrahedra, and faces with twelve equivalent Tl(1)Cu6Ir4 tetrahedra.