Materials Data on LiPa by Materials Project

Abstract

LiPa is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li is bonded to six equivalent Li and six equivalent Pa atoms to form LiLi6Pa6 cuboctahedra that share corners with eighteen equivalent LiLi6Pa6 cuboctahedra, edges with six equivalent LiLi6Pa6 cuboctahedra, edges with twelve equivalent PaLi6Pa6 cuboctahedra, faces with eight equivalent LiLi6Pa6 cuboctahedra, and faces with twelve equivalent PaLi6Pa6 cuboctahedra. All Li–Li bond lengths are 3.04 Å. All Li–Pa bond lengths are 3.34 Å. Pa is bonded to six equivalent Li and six equivalent Pa atoms to form PaLi6Pa6 cuboctahedra that share corners with eighteen equivalent PaLi6Pa6 cuboctahedra, edges with six equivalent PaLi6Pa6 cuboctahedra, edges with twelve equivalent LiLi6Pa6 cuboctahedra, faces with eight equivalent PaLi6Pa6 cuboctahedra, and faces with twelve equivalent LiLi6Pa6 cuboctahedra. All Pa–Pa bond lengths are 3.04 Å.