Materials Data on LaPu3 by Materials Project

Abstract

Pu3La is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent La atoms to form PuLa4Pu8 cuboctahedra that share corners with four equivalent PuLa4Pu8 cuboctahedra, corners with eight equivalent LaPu12 cuboctahedra, edges with twenty-four PuLa4Pu8 cuboctahedra, faces with six equivalent LaPu12 cuboctahedra, and faces with twelve PuLa4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.48 Å. All Pu–La bond lengths are 3.47 Å. In the second Pu site, Pu is bonded to eight Pu and four equivalent La atoms to form PuLa4Pu8 cuboctahedra that share corners with twelve equivalent PuLa4Pu8 cuboctahedra, edges with eight equivalent LaPu12 cuboctahedra, edges with sixteen PuLa4Pu8 cuboctahedra, faces with four equivalent LaPu12 cuboctahedra, and faces with fourteen PuLa4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.47 Å. All Pu–La bond lengths are 3.48 Å. La is bonded to twelve Pu atoms to form LaPu12 cuboctahedra that share corners with four equivalent LaPu12 cuboctahedra, corners with eight equivalent PuLa4Pu8 cuboctahedra, edges with eight equivalent LaPu12 cuboctahedra, edges with sixteen equivalent PuLa4Pu8 cuboctahedra, faces with four equivalent LaPu12 cuboctahedra, and faces with fourteen PuLa4Pu8 cuboctahedra.