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Title: Materials Data on NbAu4 by Materials Project

Abstract

NbAu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb4+ is bonded in a hexagonal planar geometry to six equivalent Au1- atoms. All Nb–Au bond lengths are 2.91 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to three equivalent Nb4+ and three equivalent Au1- atoms to form a mixture of distorted edge and corner-sharing AuNb3Au3 cuboctahedra. All Au–Au bond lengths are 2.98 Å. In the second Au1- site, Au1- is bonded to twelve Au1- atoms to form AuAu12 cuboctahedra that share corners with fifteen AuNb3Au3 cuboctahedra, edges with twenty-one AuNb3Au3 cuboctahedra, and faces with twelve equivalent AuAu12 cuboctahedra. There are six shorter (2.94 Å) and three longer (2.96 Å) Au–Au bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1220390
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; NbAu4; Au-Nb
OSTI Identifier:
1688998
DOI:
https://doi.org/10.17188/1688998

Citation Formats

The Materials Project. Materials Data on NbAu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688998.
The Materials Project. Materials Data on NbAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1688998
The Materials Project. 2020. "Materials Data on NbAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1688998. https://www.osti.gov/servlets/purl/1688998. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688998,
title = {Materials Data on NbAu4 by Materials Project},
author = {The Materials Project},
abstractNote = {NbAu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb4+ is bonded in a hexagonal planar geometry to six equivalent Au1- atoms. All Nb–Au bond lengths are 2.91 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to three equivalent Nb4+ and three equivalent Au1- atoms to form a mixture of distorted edge and corner-sharing AuNb3Au3 cuboctahedra. All Au–Au bond lengths are 2.98 Å. In the second Au1- site, Au1- is bonded to twelve Au1- atoms to form AuAu12 cuboctahedra that share corners with fifteen AuNb3Au3 cuboctahedra, edges with twenty-one AuNb3Au3 cuboctahedra, and faces with twelve equivalent AuAu12 cuboctahedra. There are six shorter (2.94 Å) and three longer (2.96 Å) Au–Au bond lengths.},
doi = {10.17188/1688998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}