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Title: Materials Data on Na3Au by Materials Project

Abstract

Na3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Au atoms to form a mixture of distorted face, edge, and corner-sharing NaNa4Au4 tetrahedra. All Na–Na bond lengths are 3.19 Å. All Na–Au bond lengths are 3.19 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Au atoms. All Na–Au bond lengths are 3.68 Å. Au is bonded in a body-centered cubic geometry to fourteen Na atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186018
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; Na3Au; Au-Na
OSTI Identifier:
1753645
DOI:
https://doi.org/10.17188/1753645

Citation Formats

The Materials Project. Materials Data on Na3Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753645.
The Materials Project. Materials Data on Na3Au by Materials Project. United States. doi:https://doi.org/10.17188/1753645
The Materials Project. 2020. "Materials Data on Na3Au by Materials Project". United States. doi:https://doi.org/10.17188/1753645. https://www.osti.gov/servlets/purl/1753645. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753645,
title = {Materials Data on Na3Au by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Au atoms to form a mixture of distorted face, edge, and corner-sharing NaNa4Au4 tetrahedra. All Na–Na bond lengths are 3.19 Å. All Na–Au bond lengths are 3.19 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Au atoms. All Na–Au bond lengths are 3.68 Å. Au is bonded in a body-centered cubic geometry to fourteen Na atoms.},
doi = {10.17188/1753645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}