LiScI3 is Ilmenite-like structured and crystallizes in the hexagonal P-6c2 space group. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra, edges with three equivalent Sc(1)I6 octahedra, and faces with two equivalent Li(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 octahedra that share corners with six equivalent Li(1)I6 octahedra, edges with three equivalent Li(1)I6 octahedra, and faces with two equivalent Sc(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Sc(1) atoms.
LiScI3 is Ilmenite-like structured and crystallizes in the hexagonal P-6c2 space group. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra, edges with three equivalent Sc(1)I6 octahedra, and faces with two equivalent Li(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li(1)-I(1) bond lengths are 3.00 Å. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 octahedra that share corners with six equivalent Li(1)I6 octahedra, edges with three equivalent Li(1)I6 octahedra, and faces with two equivalent Sc(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc(1)-I(1) bond lengths are 2.98 Å. I(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Sc(1) atoms.