LiCu2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Cu(1) and six equivalent Si(1) atoms. Cu(1) is bonded to four equivalent Li(1) and four equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing CuLi4Si4 tetrahedra. Si(1) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Cu(1) atoms.
LiCu2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Cu(1) and six equivalent Si(1) atoms. All Li(1)-Cu(1) bond lengths are 2.47 Å. All Li(1)-Si(1) bond lengths are 2.85 Å. Cu(1) is bonded to four equivalent Li(1) and four equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing CuLi4Si4 tetrahedra. All Cu(1)-Si(1) bond lengths are 2.47 Å. Si(1) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Cu(1) atoms.