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Title: Materials Data on CuNiAu by Materials Project

Abstract

CuNiAu crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ni is bonded to six equivalent Ni, three equivalent Au, and three equivalent Cu atoms to form distorted NiCu3Ni6Au3 cuboctahedra that share corners with three equivalent AuCu3Ni3Au6 cuboctahedra, corners with three equivalent CuCu6Ni3Au3 cuboctahedra, corners with six equivalent NiCu3Ni6Au3 cuboctahedra, edges with six equivalent NiCu3Ni6Au3 cuboctahedra, edges with nine equivalent AuCu3Ni3Au6 cuboctahedra, edges with nine equivalent CuCu6Ni3Au3 cuboctahedra, faces with six equivalent NiCu3Ni6Au3 cuboctahedra, faces with six equivalent AuCu3Ni3Au6 cuboctahedra, and faces with six equivalent CuCu6Ni3Au3 cuboctahedra. All Ni–Ni bond lengths are 2.75 Å. All Ni–Au bond lengths are 2.71 Å. All Ni–Cu bond lengths are 2.48 Å. Au is bonded to three equivalent Ni, six equivalent Au, and three equivalent Cu atoms to form distorted AuCu3Ni3Au6 cuboctahedra that share corners with three equivalent NiCu3Ni6Au3 cuboctahedra, corners with three equivalent CuCu6Ni3Au3 cuboctahedra, corners with six equivalent AuCu3Ni3Au6 cuboctahedra, edges with six equivalent AuCu3Ni3Au6 cuboctahedra, edges with nine equivalent NiCu3Ni6Au3 cuboctahedra, edges with nine equivalent CuCu6Ni3Au3 cuboctahedra, faces with six equivalent NiCu3Ni6Au3 cuboctahedra, faces with six equivalent AuCu3Ni3Au6 cuboctahedra, and faces with six equivalent CuCu6Ni3Au3 cuboctahedra. All Au–Au bond lengths are 2.75 Å. All Au–Cu bond lengths are 2.74more » Å. Cu is bonded to three equivalent Ni, three equivalent Au, and six equivalent Cu atoms to form distorted CuCu6Ni3Au3 cuboctahedra that share corners with three equivalent NiCu3Ni6Au3 cuboctahedra, corners with three equivalent AuCu3Ni3Au6 cuboctahedra, corners with six equivalent CuCu6Ni3Au3 cuboctahedra, edges with six equivalent CuCu6Ni3Au3 cuboctahedra, edges with nine equivalent NiCu3Ni6Au3 cuboctahedra, edges with nine equivalent AuCu3Ni3Au6 cuboctahedra, faces with six equivalent NiCu3Ni6Au3 cuboctahedra, faces with six equivalent AuCu3Ni3Au6 cuboctahedra, and faces with six equivalent CuCu6Ni3Au3 cuboctahedra. All Cu–Cu bond lengths are 2.75 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1225664
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; CuNiAu; Au-Cu-Ni
OSTI Identifier:
1695422
DOI:
https://doi.org/10.17188/1695422

Citation Formats

The Materials Project. Materials Data on CuNiAu by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695422.
The Materials Project. Materials Data on CuNiAu by Materials Project. United States. doi:https://doi.org/10.17188/1695422
The Materials Project. 2019. "Materials Data on CuNiAu by Materials Project". United States. doi:https://doi.org/10.17188/1695422. https://www.osti.gov/servlets/purl/1695422. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1695422,
title = {Materials Data on CuNiAu by Materials Project},
author = {The Materials Project},
abstractNote = {CuNiAu crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ni is bonded to six equivalent Ni, three equivalent Au, and three equivalent Cu atoms to form distorted NiCu3Ni6Au3 cuboctahedra that share corners with three equivalent AuCu3Ni3Au6 cuboctahedra, corners with three equivalent CuCu6Ni3Au3 cuboctahedra, corners with six equivalent NiCu3Ni6Au3 cuboctahedra, edges with six equivalent NiCu3Ni6Au3 cuboctahedra, edges with nine equivalent AuCu3Ni3Au6 cuboctahedra, edges with nine equivalent CuCu6Ni3Au3 cuboctahedra, faces with six equivalent NiCu3Ni6Au3 cuboctahedra, faces with six equivalent AuCu3Ni3Au6 cuboctahedra, and faces with six equivalent CuCu6Ni3Au3 cuboctahedra. All Ni–Ni bond lengths are 2.75 Å. All Ni–Au bond lengths are 2.71 Å. All Ni–Cu bond lengths are 2.48 Å. Au is bonded to three equivalent Ni, six equivalent Au, and three equivalent Cu atoms to form distorted AuCu3Ni3Au6 cuboctahedra that share corners with three equivalent NiCu3Ni6Au3 cuboctahedra, corners with three equivalent CuCu6Ni3Au3 cuboctahedra, corners with six equivalent AuCu3Ni3Au6 cuboctahedra, edges with six equivalent AuCu3Ni3Au6 cuboctahedra, edges with nine equivalent NiCu3Ni6Au3 cuboctahedra, edges with nine equivalent CuCu6Ni3Au3 cuboctahedra, faces with six equivalent NiCu3Ni6Au3 cuboctahedra, faces with six equivalent AuCu3Ni3Au6 cuboctahedra, and faces with six equivalent CuCu6Ni3Au3 cuboctahedra. All Au–Au bond lengths are 2.75 Å. All Au–Cu bond lengths are 2.74 Å. Cu is bonded to three equivalent Ni, three equivalent Au, and six equivalent Cu atoms to form distorted CuCu6Ni3Au3 cuboctahedra that share corners with three equivalent NiCu3Ni6Au3 cuboctahedra, corners with three equivalent AuCu3Ni3Au6 cuboctahedra, corners with six equivalent CuCu6Ni3Au3 cuboctahedra, edges with six equivalent CuCu6Ni3Au3 cuboctahedra, edges with nine equivalent NiCu3Ni6Au3 cuboctahedra, edges with nine equivalent AuCu3Ni3Au6 cuboctahedra, faces with six equivalent NiCu3Ni6Au3 cuboctahedra, faces with six equivalent AuCu3Ni3Au6 cuboctahedra, and faces with six equivalent CuCu6Ni3Au3 cuboctahedra. All Cu–Cu bond lengths are 2.75 Å.},
doi = {10.17188/1695422},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}