Materials Data on DyPu3 by Materials Project

Abstract

Pu3Dy is alpha La-derived 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 Dy atoms to form PuDy4Pu8 cuboctahedra that share corners with twelve equivalent PuDy4Pu8 cuboctahedra, edges with eight equivalent DyPu12 cuboctahedra, edges with sixteen PuDy4Pu8 cuboctahedra, faces with four equivalent DyPu12 cuboctahedra, and faces with fourteen PuDy4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.42 Å. All Pu–Dy bond lengths are 3.42 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Dy atoms to form PuDy4Pu8 cuboctahedra that share corners with four equivalent PuDy4Pu8 cuboctahedra, corners with eight equivalent DyPu12 cuboctahedra, edges with twenty-four PuDy4Pu8 cuboctahedra, faces with six equivalent DyPu12 cuboctahedra, and faces with twelve PuDy4Pu8 cuboctahedra. All Pu–Dy bond lengths are 3.42 Å. Dy is bonded to twelve Pu atoms to form DyPu12 cuboctahedra that share corners with four equivalent DyPu12 cuboctahedra, corners with eight equivalent PuDy4Pu8 cuboctahedra, edges with eight equivalent DyPu12 cuboctahedra, edges with sixteen equivalent PuDy4Pu8 cuboctahedra, faces with four equivalent DyPu12 cuboctahedra, and faces with fourteen PuDy4Pu8 cuboctahedra.