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Title: Materials Data on LiAsS2 by Materials Project

Abstract

LiAsS2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are a spread of Li–S bond distances ranging from 2.66–2.90 Å. As3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.21 Å) and two longer (2.37 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Li1+ and one As3+ atom to form a mixture of corner and edge-sharing SLi4As square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent As3+ atoms.

Publication Date:
Other Number(s):
mp-555874
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; LiAsS2; As-Li-S
OSTI Identifier:
1269039
DOI:
10.17188/1269039

Citation Formats

The Materials Project. Materials Data on LiAsS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269039.
The Materials Project. Materials Data on LiAsS2 by Materials Project. United States. doi:10.17188/1269039.
The Materials Project. 2020. "Materials Data on LiAsS2 by Materials Project". United States. doi:10.17188/1269039. https://www.osti.gov/servlets/purl/1269039. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269039,
title = {Materials Data on LiAsS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAsS2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are a spread of Li–S bond distances ranging from 2.66–2.90 Å. As3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.21 Å) and two longer (2.37 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Li1+ and one As3+ atom to form a mixture of corner and edge-sharing SLi4As square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent As3+ atoms.},
doi = {10.17188/1269039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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