Materials Data on Co4Os by Materials Project

Abstract

OsCo4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Os is bonded to six equivalent Os and six equivalent Co atoms to form OsCo6Os6 cuboctahedra that share corners with six equivalent OsCo6Os6 cuboctahedra, corners with six CoCo12 cuboctahedra, edges with six equivalent OsCo6Os6 cuboctahedra, edges with eighteen CoCo9Os3 cuboctahedra, faces with six equivalent OsCo6Os6 cuboctahedra, and faces with twelve equivalent CoCo9Os3 cuboctahedra. All Os–Os bond lengths are 2.59 Å. All Os–Co bond lengths are 2.61 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Os and nine Co atoms to form CoCo9Os3 cuboctahedra that share corners with twelve CoCo9Os3 cuboctahedra, edges with six equivalent OsCo6Os6 cuboctahedra, edges with eighteen CoCo9Os3 cuboctahedra, faces with six equivalent OsCo6Os6 cuboctahedra, and faces with twelve CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.49 Å) and six longer (2.59 Å) Co–Co bond lengths. In the third Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.59 Å. In the fifth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.59 Å. In the seventh Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths.