Materials Data on Co3W3N by Materials Project
W3Co3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 2-coordinate geometry to six Co and two equivalent N atoms. There are a spread of W–Co bond distances ranging from 2.66–2.72 Å. Both W–N bond lengths are 2.14 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six equivalent W and six Co atoms. There are three shorter (2.38 Å) and three longer (2.55 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent W and six equivalent Co atoms to form CoCo6W6 cuboctahedra that share edges with six equivalent NW6 octahedra and faces with six equivalent CoCo6W6 cuboctahedra. N is bonded to six equivalent W atoms to form NW6 octahedra that share corners with six equivalent NW6 octahedra and edges with six equivalent CoCo6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 48°.