LiI is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent I(1) atoms to form a mixture of edge, face, and corner-sharing LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded to six equivalent Li(1) atoms to form a mixture of distorted edge and corner-sharing ILi6 pentagonal pyramids.
LiI is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent I(1) atoms to form a mixture of edge, face, and corner-sharing LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li(1)-I(1) bond lengths are 2.99 Å. I(1) is bonded to six equivalent Li(1) atoms to form a mixture of distorted edge and corner-sharing ILi6 pentagonal pyramids.