Materials Data on UB2Os3 by Materials Project

Abstract

UOs3B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U6+ is bonded to twelve Os2- atoms to form UOs12 cuboctahedra that share corners with twelve equivalent UOs12 cuboctahedra, edges with six equivalent UOs12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent UOs12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. There are four shorter (3.15 Å) and eight longer (3.16 Å) U–Os bond lengths. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a distorted square co-planar geometry to four equivalent U6+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. In the second Os2- site, Os2- is bonded in a distorted square co-planar geometry to four equivalent U6+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. B is bonded to six Os2- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent UOs12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent UOs12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.