U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li9Al4 by Materials Project
Abstract
Al4Li9 is zeta silver zinc-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to two Al atoms. There are one shorter (2.79 Å) and one longer (2.83 Å) Li–Al bond lengths. In the second Li site, Li is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Li–Al bond distances ranging from 2.77–2.92 Å. In the third Li site, Li is bonded in a 2-coordinate geometry to two equivalent Al atoms. There are one shorter (2.76 Å) and one longer (2.91 Å) Li–Al bond lengths. In the fourth Li site, Li is bonded in a distorted linear geometry to two equivalent Al atoms. Both Li–Al bond lengths are 2.75 Å. In the fifth Li site, Li is bonded in a 3-coordinate geometry to three Al atoms. There are two shorter (2.71 Å) and one longer (2.85 Å) Li–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to six Li atoms. In the second Al site, Al is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-568404
- 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; Li9Al4; crystal structure
- OSTI Identifier:
- 1274424
- DOI:
- https://doi.org/10.17188/1274424
Citation Formats
Materials Data on Li9Al4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274424.
Materials Data on Li9Al4 by Materials Project. United States. doi:https://doi.org/10.17188/1274424
2020.
"Materials Data on Li9Al4 by Materials Project". United States. doi:https://doi.org/10.17188/1274424. https://www.osti.gov/servlets/purl/1274424. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274424,
title = {Materials Data on Li9Al4 by Materials Project},
abstractNote = {Al4Li9 is zeta silver zinc-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to two Al atoms. There are one shorter (2.79 Å) and one longer (2.83 Å) Li–Al bond lengths. In the second Li site, Li is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Li–Al bond distances ranging from 2.77–2.92 Å. In the third Li site, Li is bonded in a 2-coordinate geometry to two equivalent Al atoms. There are one shorter (2.76 Å) and one longer (2.91 Å) Li–Al bond lengths. In the fourth Li site, Li is bonded in a distorted linear geometry to two equivalent Al atoms. Both Li–Al bond lengths are 2.75 Å. In the fifth Li site, Li is bonded in a 3-coordinate geometry to three Al atoms. There are two shorter (2.71 Å) and one longer (2.85 Å) Li–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to six Li atoms. In the second Al site, Al is bonded in a 9-coordinate geometry to six Li atoms.},
doi = {10.17188/1274424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}