LiCuO is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to six equivalent Cu(1) and four equivalent O(1) atoms to form distorted LiCu6O4 tetrahedra that share corners with four equivalent Cu(1)Li6O4 tetrahedra, corners with six equivalent Li(1)Cu6O4 tetrahedra, edges with six equivalent Cu(1)Li6O4 tetrahedra, and faces with twelve equivalent Li(1)Cu6O4 tetrahedra. Cu(1) is bonded to six equivalent Li(1) and four equivalent O(1) atoms to form distorted CuLi6O4 tetrahedra that share corners with four equivalent Li(1)Cu6O4 tetrahedra, corners with six equivalent Cu(1)Li6O4 tetrahedra, edges with six equivalent Li(1)Cu6O4 tetrahedra, and faces with twelve equivalent Cu(1)Li6O4 tetrahedra. O(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Cu(1) atoms.
LiCuO is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to six equivalent Cu(1) and four equivalent O(1) atoms to form distorted LiCu6O4 tetrahedra that share corners with four equivalent Cu(1)Li6O4 tetrahedra, corners with six equivalent Li(1)Cu6O4 tetrahedra, edges with six equivalent Cu(1)Li6O4 tetrahedra, and faces with twelve equivalent Li(1)Cu6O4 tetrahedra. All Li(1)-Cu(1) bond lengths are 2.47 Å. All Li(1)-O(1) bond lengths are 2.14 Å. Cu(1) is bonded to six equivalent Li(1) and four equivalent O(1) atoms to form distorted CuLi6O4 tetrahedra that share corners with four equivalent Li(1)Cu6O4 tetrahedra, corners with six equivalent Cu(1)Li6O4 tetrahedra, edges with six equivalent Li(1)Cu6O4 tetrahedra, and faces with twelve equivalent Cu(1)Li6O4 tetrahedra. All Cu(1)-O(1) bond lengths are 2.14 Å. O(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Cu(1) atoms.