DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaLiAs by Materials Project

Abstract

LiBaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.63 Å. Ba2+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 pentagonal pyramids. All Ba–As bond lengths are 3.50 Å. As3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.

Publication Date:
Other Number(s):
mp-10616
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; BaLiAs; As-Ba-Li
OSTI Identifier:
1187229
DOI:
https://doi.org/10.17188/1187229

Citation Formats

The Materials Project. Materials Data on BaLiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187229.
The Materials Project. Materials Data on BaLiAs by Materials Project. United States. doi:https://doi.org/10.17188/1187229
The Materials Project. 2020. "Materials Data on BaLiAs by Materials Project". United States. doi:https://doi.org/10.17188/1187229. https://www.osti.gov/servlets/purl/1187229. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187229,
title = {Materials Data on BaLiAs by Materials Project},
author = {The Materials Project},
abstractNote = {LiBaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.63 Å. Ba2+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 pentagonal pyramids. All Ba–As bond lengths are 3.50 Å. As3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.},
doi = {10.17188/1187229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}