Li2CuSb is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Cu(1) and six equivalent Sb(1) atoms to form distorted LiCu4Sb6 tetrahedra that share corners with six equivalent Li(1)Cu4Sb6 tetrahedra, edges with twelve equivalent Li(2)Cu6Sb4 tetrahedra, faces with four equivalent Li(2)Cu6Sb4 tetrahedra, and faces with twelve equivalent Li(1)Cu4Sb6 tetrahedra. In the second Li site, Li(2) is bonded to six equivalent Cu(1) and four equivalent Sb(1) atoms to form distorted LiCu6Sb4 tetrahedra that share corners with six equivalent Li(2)Cu6Sb4 tetrahedra, edges with twelve equivalent Li(1)Cu4Sb6 tetrahedra, faces with four equivalent Li(1)Cu4Sb6 tetrahedra, and faces with twelve equivalent Li(2)Cu6Sb4 tetrahedra. Cu(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Sb(1) atoms. Sb(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Cu(1) atoms.
Li2CuSb is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Cu(1) and six equivalent Sb(1) atoms to form distorted LiCu4Sb6 tetrahedra that share corners with six equivalent Li(1)Cu4Sb6 tetrahedra, edges with twelve equivalent Li(2)Cu6Sb4 tetrahedra, faces with four equivalent Li(2)Cu6Sb4 tetrahedra, and faces with twelve equivalent Li(1)Cu4Sb6 tetrahedra. All Li(1)-Cu(1) bond lengths are 2.72 Å. All Li(1)-Sb(1) bond lengths are 3.15 Å. In the second Li site, Li(2) is bonded to six equivalent Cu(1) and four equivalent Sb(1) atoms to form distorted LiCu6Sb4 tetrahedra that share corners with six equivalent Li(2)Cu6Sb4 tetrahedra, edges with twelve equivalent Li(1)Cu4Sb6 tetrahedra, faces with four equivalent Li(1)Cu4Sb6 tetrahedra, and faces with twelve equivalent Li(2)Cu6Sb4 tetrahedra. All Li(2)-Cu(1) bond lengths are 3.15 Å. All Li(2)-Sb(1) bond lengths are 2.72 Å. Cu(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Sb(1) atoms. All Cu(1)-Sb(1) bond lengths are 2.72 Å. Sb(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Cu(1) atoms.