Materials Data on PuB2Os3 by Materials Project

Abstract

PuOs3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu3+ is bonded to two equivalent Pu3+ and twelve equivalent Os1- atoms to form distorted PuPu2Os12 cuboctahedra that share corners with fourteen equivalent PuPu2Os12 cuboctahedra, edges with six equivalent PuPu2Os12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent PuPu2Os12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. Both Pu–Pu bond lengths are 2.97 Å. All Pu–Os bond lengths are 3.17 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Pu3+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. B is bonded to six equivalent Os1- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent PuPu2Os12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent PuPu2Os12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.