U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1225771
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-Cu-Pd; Cu3PdAu4; crystal structure
- OSTI Identifier:
- 1731867
- DOI:
- https://doi.org/10.17188/1731867
Citation Formats
Materials Data on Cu3PdAu4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731867.
Materials Data on Cu3PdAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1731867
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 04:00:00 UTC 2020
@article{osti_1731867,
title = {Materials Data on Cu3PdAu4 by 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}
}