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Title: Materials Data on LiAlS2 by Materials Project

Abstract

LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent AlS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.48 Å. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra.

Publication Date:
Other Number(s):
mp-1106183
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; LiAlS2; Al-Li-S
OSTI Identifier:
1656147
DOI:
https://doi.org/10.17188/1656147

Citation Formats

The Materials Project. Materials Data on LiAlS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656147.
The Materials Project. Materials Data on LiAlS2 by Materials Project. United States. doi:https://doi.org/10.17188/1656147
The Materials Project. 2020. "Materials Data on LiAlS2 by Materials Project". United States. doi:https://doi.org/10.17188/1656147. https://www.osti.gov/servlets/purl/1656147. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1656147,
title = {Materials Data on LiAlS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent AlS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.48 Å. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra.},
doi = {10.17188/1656147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}