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Title: Materials Data on LiAs3 by Materials Project

Abstract

LiAs3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to eleven As+0.33- atoms. There are a spread of Li–As bond distances ranging from 2.43–3.13 Å. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a 10-coordinate geometry to four equivalent Li1+ and six As+0.33- atoms. There are three shorter (2.80 Å) and three longer (2.99 Å) As–As bond lengths. In the second As+0.33- site, As+0.33- is bonded in a trigonal planar geometry to three equivalent Li1+ and six equivalent As+0.33- atoms.

Publication Date:
Other Number(s):
mp-1206724
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; LiAs3; As-Li
OSTI Identifier:
1653042
DOI:
https://doi.org/10.17188/1653042

Citation Formats

The Materials Project. Materials Data on LiAs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653042.
The Materials Project. Materials Data on LiAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1653042
The Materials Project. 2020. "Materials Data on LiAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1653042. https://www.osti.gov/servlets/purl/1653042. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1653042,
title = {Materials Data on LiAs3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAs3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to eleven As+0.33- atoms. There are a spread of Li–As bond distances ranging from 2.43–3.13 Å. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a 10-coordinate geometry to four equivalent Li1+ and six As+0.33- atoms. There are three shorter (2.80 Å) and three longer (2.99 Å) As–As bond lengths. In the second As+0.33- site, As+0.33- is bonded in a trigonal planar geometry to three equivalent Li1+ and six equivalent As+0.33- atoms.},
doi = {10.17188/1653042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}