Materials Data on Co3W3C by Materials Project
Co3W3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 8-coordinate geometry to six Co and two equivalent C atoms. There are a spread of W–Co bond distances ranging from 2.69–2.74 Å. Both W–C bond lengths are 2.14 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent W and six equivalent Co atoms to form CoCo6W6 cuboctahedra that share edges with six equivalent CW6 octahedra and faces with six equivalent CoCo6W6 cuboctahedra. All Co–Co bond lengths are 2.38 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six equivalent W and six Co atoms. All Co–Co bond lengths are 2.52 Å. C is bonded to six equivalent W atoms to form CW6 octahedra that share corners with six equivalent CW6 octahedra and edges with six equivalent CoCo6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 48°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1682141
- Report Number(s):
- mp-1192636
- Country of Publication:
- United States
- Language:
- English
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