U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc(Al2Fe)4 by Materials Project
Abstract
ScFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Sc–Fe bond lengths are 3.29 Å. There are four shorter (2.88 Å) and eight longer (3.12 Å) Sc–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.50 Å) and four longer (2.59 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Sc, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.65 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3701
- 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; Sc(Al2Fe)4; Al-Fe-Sc
- OSTI Identifier:
- 1207294
- DOI:
- https://doi.org/10.17188/1207294
Citation Formats
The Materials Project. Materials Data on Sc(Al2Fe)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207294.
The Materials Project. Materials Data on Sc(Al2Fe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1207294
The Materials Project. 2020.
"Materials Data on Sc(Al2Fe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1207294. https://www.osti.gov/servlets/purl/1207294. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207294,
title = {Materials Data on Sc(Al2Fe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {ScFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Sc–Fe bond lengths are 3.29 Å. There are four shorter (2.88 Å) and eight longer (3.12 Å) Sc–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.50 Å) and four longer (2.59 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Sc, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.65 Å.},
doi = {10.17188/1207294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}