U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li(Mg4Al3)4 by Materials Project
Abstract
Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Li–Mg bond lengths are 3.08 Å. All Li–Al bond lengths are 3.21 Å. 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 3.06–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.16 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to one Li, three equivalent Mg, and six equivalent Al atoms. All Mg–Al bond lengths are 3.07 Å. Al is bonded in a 11-coordinate geometry to one Li, seven Mg, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.77 Å) Al–Al bond lengths.
- Publication Date:
- Other Number(s):
- mp-973970
- 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-Li-Mg; Li(Mg4Al3)4; crystal structure
- OSTI Identifier:
- 1314380
- DOI:
- https://doi.org/10.17188/1314380
Citation Formats
Materials Data on Li(Mg4Al3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314380.
Materials Data on Li(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1314380
2020.
"Materials Data on Li(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1314380. https://www.osti.gov/servlets/purl/1314380. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1314380,
title = {Materials Data on Li(Mg4Al3)4 by Materials Project},
abstractNote = {Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Li–Mg bond lengths are 3.08 Å. All Li–Al bond lengths are 3.21 Å. 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 3.06–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.16 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to one Li, three equivalent Mg, and six equivalent Al atoms. All Mg–Al bond lengths are 3.07 Å. Al is bonded in a 11-coordinate geometry to one Li, seven Mg, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.77 Å) Al–Al bond lengths.},
doi = {10.17188/1314380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}