Materials Data on YbPu3 by Materials Project

Abstract

Pu3Yb 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 Pu and four equivalent Yb atoms to form PuYb4Pu8 cuboctahedra that share corners with twelve equivalent PuYb4Pu8 cuboctahedra, edges with eight equivalent YbPu12 cuboctahedra, edges with sixteen PuYb4Pu8 cuboctahedra, faces with four equivalent YbPu12 cuboctahedra, and faces with fourteen PuYb4Pu8 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.46 Å) Pu–Pu bond lengths. All Pu–Yb bond lengths are 3.46 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Yb atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent PuYb4Pu8 cuboctahedra, corners with eight equivalent YbPu12 cuboctahedra, edges with twenty-four PuYb4Pu8 cuboctahedra, faces with six equivalent YbPu12 cuboctahedra, and faces with twelve PuYb4Pu8 cuboctahedra. All Pu–Yb bond lengths are 3.43 Å. Yb is bonded to twelve Pu atoms to form YbPu12 cuboctahedra that share corners with four equivalent YbPu12 cuboctahedra, corners with eight equivalent PuYb4Pu8 cuboctahedra, edges with eight equivalent YbPu12 cuboctahedra, edges with sixteen equivalent PuYb4Pu8 cuboctahedra, faces with four equivalent YbPu12 cuboctahedra, and faces with fourteen PuYb4Pu8 cuboctahedra.