Materials Data on Fe2Si by Materials Project
Fe2Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to four equivalent Fe2+ and four equivalent Si4- atoms. All Fe–Fe bond lengths are 2.45 Å. All Fe–Si bond lengths are 2.38 Å. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Fe–Si bond lengths are 2.42 Å. In the third Fe2+ site, Fe2+ is bonded in a 10-coordinate geometry to eight equivalent Fe2+ and two equivalent Si4- atoms. Both Fe–Si bond lengths are 2.77 Å. Si4- is bonded in a distorted body-centered cubic geometry to nine Fe2+ atoms.
- 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:
- 1725021
- Report Number(s):
- mp-1225186
- Country of Publication:
- United States
- Language:
- English
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