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Title: Materials Data on CoAu4 by Materials Project

Abstract

CoAu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms. All Co–Au bond lengths are 2.69 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Co2+ and three equivalent Au+0.50- atoms. All Au–Au bond lengths are 3.00 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.91 Å) and three longer (3.00 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.00 Å) Au–Au bond lengths. In the fourth Au+0.50- site, Au+0.50- is bonded to sixteen Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu16 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.91–5.81 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Co2+ and three equivalent Au+0.50- atoms. All Au–Co bondmore » lengths are 2.69 Å.« less

Publication Date:
Other Number(s):
mp-1226077
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CoAu4; Au-Co
OSTI Identifier:
1740251
DOI:
https://doi.org/10.17188/1740251

Citation Formats

The Materials Project. Materials Data on CoAu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740251.
The Materials Project. Materials Data on CoAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1740251
The Materials Project. 2020. "Materials Data on CoAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1740251. https://www.osti.gov/servlets/purl/1740251. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1740251,
title = {Materials Data on CoAu4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoAu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms. All Co–Au bond lengths are 2.69 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Co2+ and three equivalent Au+0.50- atoms. All Au–Au bond lengths are 3.00 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.91 Å) and three longer (3.00 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.00 Å) Au–Au bond lengths. In the fourth Au+0.50- site, Au+0.50- is bonded to sixteen Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu16 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.91–5.81 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Co2+ and three equivalent Au+0.50- atoms. All Au–Co bond lengths are 2.69 Å.},
doi = {10.17188/1740251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}