Materials Data on Co3Os by Materials Project

Abstract

OsCo3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded to twelve Co atoms to form OsCo12 cuboctahedra that share corners with four equivalent OsCo12 cuboctahedra, corners with eight equivalent CoCo8Os4 cuboctahedra, edges with eight equivalent OsCo12 cuboctahedra, edges with sixteen equivalent CoCo8Os4 cuboctahedra, faces with four equivalent OsCo12 cuboctahedra, and faces with fourteen CoCo8Os4 cuboctahedra. There are eight shorter (2.52 Å) and four longer (2.53 Å) Os–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Os and eight Co atoms to form CoCo8Os4 cuboctahedra that share corners with twelve equivalent CoCo8Os4 cuboctahedra, edges with eight equivalent OsCo12 cuboctahedra, edges with sixteen CoCo8Os4 cuboctahedra, faces with four equivalent OsCo12 cuboctahedra, and faces with fourteen CoCo8Os4 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.53 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Os and eight equivalent Co atoms to form CoCo8Os4 cuboctahedra that share corners with four equivalent CoCo8Os4 cuboctahedra, corners with eight equivalent OsCo12 cuboctahedra, edges with twenty-four CoCo8Os4 cuboctahedra, faces with six equivalent OsCo12 cuboctahedra, and faces with twelve CoCo8Os4 cuboctahedra.