Materials Data on Fe3Si by Materials Project
Fe3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Si atoms. All Fe–Fe bond lengths are 2.43 Å. All Fe–Si bond lengths are 2.43 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Si atoms. All Fe–Si bond lengths are 2.80 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197276
- Report Number(s):
- mp-2199
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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