U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeF3 by Materials Project
Abstract
FeF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Fe–F bond lengths are 1.95 Å. In the second Fe3+ site, Fe3+ is bonded to six equivalent F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Fe–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms.
- Publication Date:
- Other Number(s):
- mp-558852
- 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; F-Fe; FeF3; crystal structure
- OSTI Identifier:
- 1270528
- DOI:
- https://doi.org/10.17188/1270528
Citation Formats
Materials Data on FeF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270528.
Materials Data on FeF3 by Materials Project. United States. doi:https://doi.org/10.17188/1270528
2020.
"Materials Data on FeF3 by Materials Project". United States. doi:https://doi.org/10.17188/1270528. https://www.osti.gov/servlets/purl/1270528. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270528,
title = {Materials Data on FeF3 by Materials Project},
abstractNote = {FeF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Fe–F bond lengths are 1.95 Å. In the second Fe3+ site, Fe3+ is bonded to six equivalent F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Fe–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1270528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}