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Title: Materials Data on LiAs by Materials Project

Abstract

LiAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six As1- atoms to form a mixture of distorted edge and corner-sharing LiAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–64°. There are a spread of Li–As bond distances ranging from 2.67–2.96 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Li–As bond distances ranging from 2.67–2.94 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six Li1+ and two equivalent As1- atoms. There are one shorter (2.50 Å) and one longer (2.52 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Li1+ and two equivalent As1- atoms.

Publication Date:
Other Number(s):
mp-7943
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; LiAs; As-Li
OSTI Identifier:
1307852
DOI:
https://doi.org/10.17188/1307852

Citation Formats

The Materials Project. Materials Data on LiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307852.
The Materials Project. Materials Data on LiAs by Materials Project. United States. doi:https://doi.org/10.17188/1307852
The Materials Project. 2020. "Materials Data on LiAs by Materials Project". United States. doi:https://doi.org/10.17188/1307852. https://www.osti.gov/servlets/purl/1307852. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1307852,
title = {Materials Data on LiAs by Materials Project},
author = {The Materials Project},
abstractNote = {LiAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six As1- atoms to form a mixture of distorted edge and corner-sharing LiAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–64°. There are a spread of Li–As bond distances ranging from 2.67–2.96 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Li–As bond distances ranging from 2.67–2.94 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six Li1+ and two equivalent As1- atoms. There are one shorter (2.50 Å) and one longer (2.52 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Li1+ and two equivalent As1- atoms.},
doi = {10.17188/1307852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}