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Title: Materials Data on Ba4As3 by Materials Project

Abstract

Ba4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent As+2.67- atoms to form a mixture of distorted corner, edge, and face-sharing BaAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (3.32 Å) and three longer (3.66 Å) Ba–As bond lengths. As+2.67- is bonded in a 8-coordinate geometry to eight equivalent Ba2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1214488
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba4As3; As-Ba
OSTI Identifier:
1663071
DOI:
https://doi.org/10.17188/1663071

Citation Formats

The Materials Project. Materials Data on Ba4As3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663071.
The Materials Project. Materials Data on Ba4As3 by Materials Project. United States. doi:https://doi.org/10.17188/1663071
The Materials Project. 2020. "Materials Data on Ba4As3 by Materials Project". United States. doi:https://doi.org/10.17188/1663071. https://www.osti.gov/servlets/purl/1663071. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1663071,
title = {Materials Data on Ba4As3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent As+2.67- atoms to form a mixture of distorted corner, edge, and face-sharing BaAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (3.32 Å) and three longer (3.66 Å) Ba–As bond lengths. As+2.67- is bonded in a 8-coordinate geometry to eight equivalent Ba2+ atoms.},
doi = {10.17188/1663071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}