U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe4Si by Materials Project
Abstract
Fe4Si crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Si atoms. Both Fe–Fe bond lengths are 2.49 Å. There are two shorter (2.34 Å) and two longer (2.70 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. There are two shorter (2.49 Å) and four longer (2.54 Å) Fe–Fe bond lengths. Si is bonded to eight equivalent Fe and four equivalent Si atoms to form a mixture of distorted corner and face-sharing SiFe8Si4 cuboctahedra. All Si–Si bond lengths are 2.54 Å.
- Publication Date:
- Other Number(s):
- mp-1225135
- 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; Fe4Si; crystal structure
- OSTI Identifier:
- 1706877
- DOI:
- https://doi.org/10.17188/1706877
Citation Formats
Materials Data on Fe4Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706877.
Materials Data on Fe4Si by Materials Project. United States. doi:https://doi.org/10.17188/1706877
2020.
"Materials Data on Fe4Si by Materials Project". United States. doi:https://doi.org/10.17188/1706877. https://www.osti.gov/servlets/purl/1706877. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706877,
title = {Materials Data on Fe4Si by Materials Project},
abstractNote = {Fe4Si crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Si atoms. Both Fe–Fe bond lengths are 2.49 Å. There are two shorter (2.34 Å) and two longer (2.70 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. There are two shorter (2.49 Å) and four longer (2.54 Å) Fe–Fe bond lengths. Si is bonded to eight equivalent Fe and four equivalent Si atoms to form a mixture of distorted corner and face-sharing SiFe8Si4 cuboctahedra. All Si–Si bond lengths are 2.54 Å.},
doi = {10.17188/1706877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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