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

Title: Materials Data on BaAu5 by Materials Project

Abstract

BaAu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to eighteen Au+0.40- atoms. There are six shorter (3.43 Å) and twelve longer (3.74 Å) Ba–Au bond lengths. There are two inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and six equivalent Au+0.40- atoms. All Au–Au bond lengths are 2.85 Å. In the second Au+0.40- site, Au+0.40- is bonded to four equivalent Ba2+ and eight Au+0.40- atoms to form a mixture of edge, face, and corner-sharing AuBa4Au8 cuboctahedra. All Au–Au bond lengths are 2.97 Å.

Authors:
Publication Date:
Other Number(s):
mp-30364
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; BaAu5; Au-Ba
OSTI Identifier:
1204779
DOI:
https://doi.org/10.17188/1204779

Citation Formats

The Materials Project. Materials Data on BaAu5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204779.
The Materials Project. Materials Data on BaAu5 by Materials Project. United States. doi:https://doi.org/10.17188/1204779
The Materials Project. 2020. "Materials Data on BaAu5 by Materials Project". United States. doi:https://doi.org/10.17188/1204779. https://www.osti.gov/servlets/purl/1204779. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204779,
title = {Materials Data on BaAu5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaAu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to eighteen Au+0.40- atoms. There are six shorter (3.43 Å) and twelve longer (3.74 Å) Ba–Au bond lengths. There are two inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and six equivalent Au+0.40- atoms. All Au–Au bond lengths are 2.85 Å. In the second Au+0.40- site, Au+0.40- is bonded to four equivalent Ba2+ and eight Au+0.40- atoms to form a mixture of edge, face, and corner-sharing AuBa4Au8 cuboctahedra. All Au–Au bond lengths are 2.97 Å.},
doi = {10.17188/1204779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}