Materials Data on LiPd7 by Materials Project

Abstract

Pd7Li crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Pd atoms to form LiPd12 cuboctahedra that share corners with twelve equivalent LiPd12 cuboctahedra and faces with six equivalent PdPd12 cuboctahedra. All Li–Pd bond lengths are 2.77 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to twelve equivalent Pd atoms to form PdPd12 cuboctahedra that share corners with twelve equivalent PdPd12 cuboctahedra and faces with six equivalent LiPd12 cuboctahedra. All Pd–Pd bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a distorted linear geometry to two equivalent Li and two equivalent Pd atoms.