Materials Data on Li by Materials Project

Abstract

Li is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the second Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. All Li–Li bond lengths are 3.06 Å. In the third Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fourth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fifth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths.