Materials Data on Pu3Ru by Materials Project

Abstract

Pu3Ru 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 Ru atoms to form distorted PuPu8Ru4 cuboctahedra that share corners with twelve equivalent PuPu8Ru4 cuboctahedra, edges with eight equivalent PuPu8Ru4 cuboctahedra, edges with eight equivalent RuPu12 cuboctahedra, faces with four equivalent RuPu12 cuboctahedra, and faces with ten equivalent PuPu8Ru4 cuboctahedra. There are four shorter (2.85 Å) and four longer (3.25 Å) Pu–Pu bond lengths. All Pu–Ru bond lengths are 3.25 Å. In the second Pu site, Pu is bonded in a square co-planar geometry to eight equivalent Pu and four equivalent Ru atoms. All Pu–Ru bond lengths are 2.85 Å. Ru is bonded to twelve Pu atoms to form distorted RuPu12 cuboctahedra that share corners with four equivalent RuPu12 cuboctahedra, edges with eight equivalent RuPu12 cuboctahedra, edges with sixteen equivalent PuPu8Ru4 cuboctahedra, faces with four equivalent RuPu12 cuboctahedra, and faces with eight equivalent PuPu8Ru4 cuboctahedra.