Materials Data on Fe2Si by Materials Project
Abstract
Fe2Si crystallizes in the trigonal P-3m1 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 three equivalent Fe2+ and five equivalent Si4- atoms. All Fe–Fe bond lengths are 2.43 Å. There are a spread of Fe–Si bond distances ranging from 2.37–2.43 Å. In the second Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to eight Fe2+ and six equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.42 Å. All Fe–Si bond lengths are 2.74 Å. In the third Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to two equivalent Fe2+ and six equivalent Si4- atoms. All Fe–Si bond lengths are 2.43 Å. Si4- is bonded in a distorted body-centered cubic geometry to eleven Fe2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22787
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Fe2Si; Fe-Si
- OSTI Identifier:
- 1198977
- DOI:
- https://doi.org/10.17188/1198977
Citation Formats
The Materials Project. Materials Data on Fe2Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198977.
The Materials Project. Materials Data on Fe2Si by Materials Project. United States. doi:https://doi.org/10.17188/1198977
The Materials Project. 2020.
"Materials Data on Fe2Si by Materials Project". United States. doi:https://doi.org/10.17188/1198977. https://www.osti.gov/servlets/purl/1198977. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1198977,
title = {Materials Data on Fe2Si by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Si crystallizes in the trigonal P-3m1 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 three equivalent Fe2+ and five equivalent Si4- atoms. All Fe–Fe bond lengths are 2.43 Å. There are a spread of Fe–Si bond distances ranging from 2.37–2.43 Å. In the second Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to eight Fe2+ and six equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.42 Å. All Fe–Si bond lengths are 2.74 Å. In the third Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to two equivalent Fe2+ and six equivalent Si4- atoms. All Fe–Si bond lengths are 2.43 Å. Si4- is bonded in a distorted body-centered cubic geometry to eleven Fe2+ atoms.},
doi = {10.17188/1198977},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}