Materials Data on Co4Re by Materials Project
ReCo4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Re is bonded to six equivalent Re and six equivalent Co atoms to form ReCo6Re6 cuboctahedra that share corners with six equivalent ReCo6Re6 cuboctahedra, corners with six CoCo12 cuboctahedra, edges with six equivalent ReCo6Re6 cuboctahedra, edges with eighteen CoCo9Re3 cuboctahedra, faces with six equivalent ReCo6Re6 cuboctahedra, and faces with twelve equivalent CoCo9Re3 cuboctahedra. All Re–Re bond lengths are 2.60 Å. All Re–Co bond lengths are 2.64 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Re and nine Co atoms to form CoCo9Re3 cuboctahedra that share corners with twelve CoCo9Re3 cuboctahedra, edges with six equivalent ReCo6Re6 cuboctahedra, edges with eighteen CoCo9Re3 cuboctahedra, faces with six equivalent ReCo6Re6 cuboctahedra, and faces with twelve CoCo9Re3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.60 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 ReCo6Re6 cuboctahedra, corners with nine CoCo9Re3 cuboctahedra, edges with three equivalent ReCo6Re6 cuboctahedra, edges with twenty-one CoCo9Re3 cuboctahedra, and faces with eighteen CoCo9Re3 cuboctahedra. There are three shorter (2.49 Å) and six longer (2.60 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 ReCo6Re6 cuboctahedra, corners with nine CoCo9Re3 cuboctahedra, edges with three equivalent ReCo6Re6 cuboctahedra, edges with twenty-one CoCo9Re3 cuboctahedra, and faces with eighteen CoCo9Re3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.60 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 ReCo6Re6 cuboctahedra, corners with nine CoCo9Re3 cuboctahedra, edges with three equivalent ReCo6Re6 cuboctahedra, edges with twenty-one CoCo9Re3 cuboctahedra, and faces with eighteen CoCo9Re3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.60 Å. In the fifth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent ReCo6Re6 cuboctahedra, corners with nine CoCo9Re3 cuboctahedra, edges with three equivalent ReCo6Re6 cuboctahedra, edges with twenty-one CoCo9Re3 cuboctahedra, and faces with eighteen CoCo9Re3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.60 Å.