Materials Data on Fe2W by Materials Project
Fe2W is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded in a 12-coordinate geometry to four equivalent W and twelve Fe atoms. There are one shorter (2.83 Å) and three longer (2.91 Å) W–W bond lengths. There are a spread of W–Fe bond distances ranging from 2.73–2.81 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeFe6W6 cuboctahedra. All Fe–Fe bond lengths are 2.39 Å. In the second Fe site, Fe is bonded to six equivalent W and six Fe atoms to form a mixture of face, edge, and corner-sharing FeFe6W6 cuboctahedra. There are two shorter (2.29 Å) and two longer (2.39 Å) Fe–Fe bond lengths.
- 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:
- 1196066
- Report Number(s):
- mp-20868
- Country of Publication:
- United States
- Language:
- English
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