Materials Data on LuB2Os3 by Materials Project

Abstract

LuOs3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent Os1- atoms to form LuOs12 cuboctahedra that share corners with twelve equivalent LuOs12 cuboctahedra, edges with six equivalent LuOs12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent LuOs12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. All Lu–Os bond lengths are 3.15 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Lu3+ and four equivalent B atoms. All Os–B bond lengths are 2.20 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 LuOs12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent LuOs12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.