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Title: Materials Data on BaSbAu by Materials Project

Abstract

BaAuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and five equivalent Sb3- atoms to form a mixture of distorted corner and face-sharing BaSb5Au6 trigonal bipyramids. All Ba–Au bond lengths are 3.71 Å. There are three shorter (3.28 Å) and two longer (3.45 Å) Ba–Sb bond lengths. Au1+ is bonded in a distorted body-centered cubic geometry to six equivalent Ba2+ and two equivalent Au1+ atoms. Both Au–Au bond lengths are 3.45 Å. Sb3- is bonded to five equivalent Ba2+ atoms to form a mixture of corner and edge-sharing SbBa5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-10769
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; BaSbAu; Au-Ba-Sb
OSTI Identifier:
1187349
DOI:
https://doi.org/10.17188/1187349

Citation Formats

The Materials Project. Materials Data on BaSbAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187349.
The Materials Project. Materials Data on BaSbAu by Materials Project. United States. doi:https://doi.org/10.17188/1187349
The Materials Project. 2020. "Materials Data on BaSbAu by Materials Project". United States. doi:https://doi.org/10.17188/1187349. https://www.osti.gov/servlets/purl/1187349. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187349,
title = {Materials Data on BaSbAu by Materials Project},
author = {The Materials Project},
abstractNote = {BaAuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Au1+ and five equivalent Sb3- atoms to form a mixture of distorted corner and face-sharing BaSb5Au6 trigonal bipyramids. All Ba–Au bond lengths are 3.71 Å. There are three shorter (3.28 Å) and two longer (3.45 Å) Ba–Sb bond lengths. Au1+ is bonded in a distorted body-centered cubic geometry to six equivalent Ba2+ and two equivalent Au1+ atoms. Both Au–Au bond lengths are 3.45 Å. Sb3- is bonded to five equivalent Ba2+ atoms to form a mixture of corner and edge-sharing SbBa5 trigonal bipyramids.},
doi = {10.17188/1187349},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}