U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuPd3 by Materials Project
Abstract
Pd3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cu atoms to form PdCu4Pd8 cuboctahedra that share corners with twelve equivalent PdCu4Pd8 cuboctahedra, edges with eight equivalent CuPd12 cuboctahedra, edges with sixteen PdCu4Pd8 cuboctahedra, faces with four equivalent CuPd12 cuboctahedra, and faces with fourteen PdCu4Pd8 cuboctahedra. There are four shorter (2.72 Å) and four longer (2.75 Å) Pd–Pd bond lengths. All Pd–Cu bond lengths are 2.75 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cu atoms to form distorted PdCu4Pd8 cuboctahedra that share corners with four equivalent PdCu4Pd8 cuboctahedra, corners with eight equivalent CuPd12 cuboctahedra, edges with twenty-four PdCu4Pd8 cuboctahedra, faces with six equivalent CuPd12 cuboctahedra, and faces with twelve PdCu4Pd8 cuboctahedra. All Pd–Cu bond lengths are 2.72 Å. Cu is bonded to twelve Pd atoms to form CuPd12 cuboctahedra that share corners with four equivalent CuPd12 cuboctahedra, corners with eight equivalent PdCu4Pd8 cuboctahedra, edges with eight equivalent CuPd12 cuboctahedra, edges with sixteen equivalent PdCu4Pd8 cuboctahedra, faces with four equivalent CuPd12 cuboctahedra, and facesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1184119
- 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; CuPd3; Cu-Pd
- OSTI Identifier:
- 1730805
- DOI:
- https://doi.org/10.17188/1730805
Citation Formats
The Materials Project. Materials Data on CuPd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1730805.
The Materials Project. Materials Data on CuPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1730805
The Materials Project. 2020.
"Materials Data on CuPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1730805. https://www.osti.gov/servlets/purl/1730805. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1730805,
title = {Materials Data on CuPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cu atoms to form PdCu4Pd8 cuboctahedra that share corners with twelve equivalent PdCu4Pd8 cuboctahedra, edges with eight equivalent CuPd12 cuboctahedra, edges with sixteen PdCu4Pd8 cuboctahedra, faces with four equivalent CuPd12 cuboctahedra, and faces with fourteen PdCu4Pd8 cuboctahedra. There are four shorter (2.72 Å) and four longer (2.75 Å) Pd–Pd bond lengths. All Pd–Cu bond lengths are 2.75 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cu atoms to form distorted PdCu4Pd8 cuboctahedra that share corners with four equivalent PdCu4Pd8 cuboctahedra, corners with eight equivalent CuPd12 cuboctahedra, edges with twenty-four PdCu4Pd8 cuboctahedra, faces with six equivalent CuPd12 cuboctahedra, and faces with twelve PdCu4Pd8 cuboctahedra. All Pd–Cu bond lengths are 2.72 Å. Cu is bonded to twelve Pd atoms to form CuPd12 cuboctahedra that share corners with four equivalent CuPd12 cuboctahedra, corners with eight equivalent PdCu4Pd8 cuboctahedra, edges with eight equivalent CuPd12 cuboctahedra, edges with sixteen equivalent PdCu4Pd8 cuboctahedra, faces with four equivalent CuPd12 cuboctahedra, and faces with fourteen PdCu4Pd8 cuboctahedra.},
doi = {10.17188/1730805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}