U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er(Mg4Al3)4 by Materials Project
Abstract
Er(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Er, and six equivalent Al atoms. The Mg–Er bond length is 3.26 Å. All Mg–Al bond lengths are 3.16 Å. Er is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Er–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Er, and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.77 Å) Al–Al bond lengths.
- Publication Date:
- Other Number(s):
- mp-1184190
- 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-Mg; Er(Mg4Al3)4; crystal structure
- OSTI Identifier:
- 1746884
- DOI:
- https://doi.org/10.17188/1746884
Citation Formats
Materials Data on Er(Mg4Al3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746884.
Materials Data on Er(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1746884
2020.
"Materials Data on Er(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1746884. https://www.osti.gov/servlets/purl/1746884. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746884,
title = {Materials Data on Er(Mg4Al3)4 by Materials Project},
abstractNote = {Er(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Er, and six equivalent Al atoms. The Mg–Er bond length is 3.26 Å. All Mg–Al bond lengths are 3.16 Å. Er is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Er–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Er, and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.77 Å) Al–Al bond lengths.},
doi = {10.17188/1746884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}