U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeSi2 by Materials Project
Abstract
FeSi2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Fe–Si bond distances ranging from 2.33–2.43 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Fe–Si bond distances ranging from 2.33–2.38 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Fe and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.58 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four Fe and five Si atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Si–Si bond lengths.
- Publication Date:
- Other Number(s):
- mp-1714
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Si; FeSi2; crystal structure
- OSTI Identifier:
- 1192352
- DOI:
- https://doi.org/10.17188/1192352
Citation Formats
Materials Data on FeSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192352.
Materials Data on FeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1192352
2020.
"Materials Data on FeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1192352. https://www.osti.gov/servlets/purl/1192352. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1192352,
title = {Materials Data on FeSi2 by Materials Project},
abstractNote = {FeSi2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Fe–Si bond distances ranging from 2.33–2.43 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Fe–Si bond distances ranging from 2.33–2.38 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Fe and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.58 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four Fe and five Si atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Si–Si bond lengths.},
doi = {10.17188/1192352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}