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Title: 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; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li8Al3Si5; Al-Li-Si
OSTI Identifier:
1204554
DOI:
https://doi.org/10.17188/1204554

Citation Formats

The Materials Project. Materials Data on Li8Al3Si5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204554.
The Materials Project. Materials Data on Li8Al3Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1204554
The Materials Project. 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},
author = {The 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}
}