U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrFe3 by Materials Project
Abstract
CrFe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Cr–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Cr and eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1018067
- 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; Cr-Fe; CrFe3; crystal structure
- OSTI Identifier:
- 1350104
- DOI:
- https://doi.org/10.17188/1350104
Citation Formats
Materials Data on CrFe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350104.
Materials Data on CrFe3 by Materials Project. United States. doi:https://doi.org/10.17188/1350104
2020.
"Materials Data on CrFe3 by Materials Project". United States. doi:https://doi.org/10.17188/1350104. https://www.osti.gov/servlets/purl/1350104. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1350104,
title = {Materials Data on CrFe3 by Materials Project},
abstractNote = {CrFe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Cr–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Cr and eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms.},
doi = {10.17188/1350104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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