LiScSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent Sc(1) atoms to form LiSc4 tetrahedra that share corners with four equivalent Si(1)Sc4 tetrahedra, corners with twelve equivalent Li(1)Sc4 tetrahedra, and edges with six equivalent Si(1)Sc4 tetrahedra. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Si(1) atoms. Si(1) is bonded to four equivalent Sc(1) atoms to form SiSc4 tetrahedra that share corners with four equivalent Li(1)Sc4 tetrahedra, corners with twelve equivalent Si(1)Sc4 tetrahedra, and edges with six equivalent Li(1)Sc4 tetrahedra.
LiScSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent Sc(1) atoms to form LiSc4 tetrahedra that share corners with four equivalent Si(1)Sc4 tetrahedra, corners with twelve equivalent Li(1)Sc4 tetrahedra, and edges with six equivalent Si(1)Sc4 tetrahedra. All Li(1)-Sc(1) bond lengths are 2.74 Å. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Si(1) atoms. All Sc(1)-Si(1) bond lengths are 2.74 Å. Si(1) is bonded to four equivalent Sc(1) atoms to form SiSc4 tetrahedra that share corners with four equivalent Li(1)Sc4 tetrahedra, corners with twelve equivalent Si(1)Sc4 tetrahedra, and edges with six equivalent Li(1)Sc4 tetrahedra.