U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er(Al2Fe)4 by Materials Project
Abstract
ErFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Er–Fe bond lengths are 3.31 Å. There are four shorter (2.95 Å) and eight longer (3.15 Å) Er–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.62 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å.
- Publication Date:
- Other Number(s):
- mp-3633
- 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; Al-Er-Fe; crystal structure; Er(Al2Fe)4
- OSTI Identifier:
- 1207165
- DOI:
- https://doi.org/10.17188/1207165
Citation Formats
Materials Data on Er(Al2Fe)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207165.
Materials Data on Er(Al2Fe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1207165
2020.
"Materials Data on Er(Al2Fe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1207165. https://www.osti.gov/servlets/purl/1207165. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1207165,
title = {Materials Data on Er(Al2Fe)4 by Materials Project},
abstractNote = {ErFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Er–Fe bond lengths are 3.31 Å. There are four shorter (2.95 Å) and eight longer (3.15 Å) Er–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.62 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å.},
doi = {10.17188/1207165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}