U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErAl by Materials Project
Abstract
ErAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.06–3.37 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.03–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Er and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlEr8Al4 cuboctahedra. There are two shorter (2.73 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Er and two equivalent Al atoms.
- Publication Date:
- Other Number(s):
- mp-1188739
- 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; ErAl; crystal structure
- OSTI Identifier:
- 1676253
- DOI:
- https://doi.org/10.17188/1676253
Citation Formats
Materials Data on ErAl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676253.
Materials Data on ErAl by Materials Project. United States. doi:https://doi.org/10.17188/1676253
2020.
"Materials Data on ErAl by Materials Project". United States. doi:https://doi.org/10.17188/1676253. https://www.osti.gov/servlets/purl/1676253. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1676253,
title = {Materials Data on ErAl by Materials Project},
abstractNote = {ErAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.06–3.37 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Er–Al bond distances ranging from 3.03–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Er and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlEr8Al4 cuboctahedra. There are two shorter (2.73 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Er and two equivalent Al atoms.},
doi = {10.17188/1676253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}