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Title: Materials Data on BaAsAu by Materials Project

Abstract

BaAuAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and six equivalent As3- atoms to form a mixture of edge and face-sharing BaAs6Au6 cuboctahedra. All Ba–Au bond lengths are 3.53 Å. All Ba–As bond lengths are 3.53 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent As3- atoms. All Au–As bond lengths are 2.67 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Au1+ atoms.

Publication Date:
Other Number(s):
mp-1077361
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; BaAsAu; As-Au-Ba
OSTI Identifier:
1727157
DOI:
https://doi.org/10.17188/1727157

Citation Formats

The Materials Project. Materials Data on BaAsAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727157.
The Materials Project. Materials Data on BaAsAu by Materials Project. United States. doi:https://doi.org/10.17188/1727157
The Materials Project. 2020. "Materials Data on BaAsAu by Materials Project". United States. doi:https://doi.org/10.17188/1727157. https://www.osti.gov/servlets/purl/1727157. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727157,
title = {Materials Data on BaAsAu by Materials Project},
author = {The Materials Project},
abstractNote = {BaAuAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and six equivalent As3- atoms to form a mixture of edge and face-sharing BaAs6Au6 cuboctahedra. All Ba–Au bond lengths are 3.53 Å. All Ba–As bond lengths are 3.53 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent As3- atoms. All Au–As bond lengths are 2.67 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Au1+ atoms.},
doi = {10.17188/1727157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}