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Title: Materials Data on Cu3PdAu4 by Materials Project

Abstract

PdAu4Cu3 is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to four equivalent Pd and eight equivalent Au atoms to form a mixture of distorted face and corner-sharing PdPd4Au8 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Au bond lengths are 2.85 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 12-coordinate geometry to four equivalent Pd and four equivalent Cu atoms. All Au–Cu bond lengths are 2.69 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to eight Cu atoms. There are four shorter (2.73 Å) and four longer (2.74 Å) Au–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

Authors:
Publication Date:
Other Number(s):
mp-1225771
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; Cu3PdAu4; Au-Cu-Pd
OSTI Identifier:
1731867
DOI:
https://doi.org/10.17188/1731867

Citation Formats

The Materials Project. Materials Data on Cu3PdAu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731867.
The Materials Project. Materials Data on Cu3PdAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1731867
The Materials Project. 2020. "Materials Data on Cu3PdAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1731867. https://www.osti.gov/servlets/purl/1731867. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731867,
title = {Materials Data on Cu3PdAu4 by Materials Project},
author = {The Materials Project},
abstractNote = {PdAu4Cu3 is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to four equivalent Pd and eight equivalent Au atoms to form a mixture of distorted face and corner-sharing PdPd4Au8 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Au bond lengths are 2.85 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 12-coordinate geometry to four equivalent Pd and four equivalent Cu atoms. All Au–Cu bond lengths are 2.69 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to eight Cu atoms. There are four shorter (2.73 Å) and four longer (2.74 Å) Au–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.},
doi = {10.17188/1731867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}