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Title: Materials Data on CuAu by Materials Project

Abstract

AuCu crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four Au1- and eight Cu1+ atoms. There are two shorter (2.82 Å) and two longer (2.84 Å) Au–Au bond lengths. There are a spread of Au–Cu bond distances ranging from 2.70–2.86 Å. In the second Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to two equivalent Au1- and eight Cu1+ atoms. There are a spread of Au–Cu bond distances ranging from 2.72–2.80 Å. In the third Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are a spread of Au–Cu bond distances ranging from 2.72–2.74 Å. In the fourth Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Au–Cu bond lengths. In the fifth Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Au–Cu bond lengths. There are five inequivalent Cu1+ sites. In the firstmore » Cu1+ site, Cu1+ is bonded in a 8-coordinate geometry to eight Au1- atoms. In the second Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the third Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the fourth Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the fifth Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-582681
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; CuAu; Au-Cu
OSTI Identifier:
1276996
DOI:
https://doi.org/10.17188/1276996

Citation Formats

The Materials Project. Materials Data on CuAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276996.
The Materials Project. Materials Data on CuAu by Materials Project. United States. doi:https://doi.org/10.17188/1276996
The Materials Project. 2020. "Materials Data on CuAu by Materials Project". United States. doi:https://doi.org/10.17188/1276996. https://www.osti.gov/servlets/purl/1276996. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1276996,
title = {Materials Data on CuAu by Materials Project},
author = {The Materials Project},
abstractNote = {AuCu crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four Au1- and eight Cu1+ atoms. There are two shorter (2.82 Å) and two longer (2.84 Å) Au–Au bond lengths. There are a spread of Au–Cu bond distances ranging from 2.70–2.86 Å. In the second Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to two equivalent Au1- and eight Cu1+ atoms. There are a spread of Au–Cu bond distances ranging from 2.72–2.80 Å. In the third Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are a spread of Au–Cu bond distances ranging from 2.72–2.74 Å. In the fourth Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Au–Cu bond lengths. In the fifth Au1- site, Au1- is bonded in a distorted body-centered cubic geometry to eight Cu1+ atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Au–Cu bond lengths. There are five inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 8-coordinate geometry to eight Au1- atoms. In the second Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the third Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the fourth Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms. In the fifth Cu1+ site, Cu1+ is bonded in a body-centered cubic geometry to eight Au1- atoms.},
doi = {10.17188/1276996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}