U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li8Al3Si5 by Materials Project
Abstract
Li8Al3Si5 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Al and one Si atom to form distorted corner-sharing LiAl3Si tetrahedra. All Li–Al bond lengths are 2.71 Å. The Li–Si bond length is 2.67 Å. In the second Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.67 Å. In the third Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.72 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Al–Si bond lengths are 2.69 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four Li and three equivalent Al atoms. In the second Si site, Si is bonded in a distorted tetrahedral geometry to four equivalent Li atoms.
- Publication Date:
- Other Number(s):
- mp-30134
- 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-Si; Li8Al3Si5; crystal structure
- OSTI Identifier:
- 1204554
- DOI:
- https://doi.org/10.17188/1204554
Citation Formats
Materials Data on Li8Al3Si5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204554.
Materials Data on Li8Al3Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1204554
2020.
"Materials Data on Li8Al3Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1204554. https://www.osti.gov/servlets/purl/1204554. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1204554,
title = {Materials Data on Li8Al3Si5 by Materials Project},
abstractNote = {Li8Al3Si5 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Al and one Si atom to form distorted corner-sharing LiAl3Si tetrahedra. All Li–Al bond lengths are 2.71 Å. The Li–Si bond length is 2.67 Å. In the second Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.67 Å. In the third Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.72 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Al–Si bond lengths are 2.69 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four Li and three equivalent Al atoms. In the second Si site, Si is bonded in a distorted tetrahedral geometry to four equivalent Li atoms.},
doi = {10.17188/1204554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}