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Title: Materials Data on Cu3Pd by Materials Project

Abstract

Cu3Pd is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Cu atoms to form PdCu12 cuboctahedra that share corners with twelve equivalent PdCu12 cuboctahedra, edges with twenty-four CuCu8Pd4 cuboctahedra, faces with six equivalent PdCu12 cuboctahedra, and faces with twelve CuCu8Pd4 cuboctahedra. All Pd–Cu bond lengths are 2.63 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Pd and eight equivalent Cu atoms to form CuCu8Pd4 cuboctahedra that share corners with twelve equivalent CuCu8Pd4 cuboctahedra, edges with eight equivalent PdCu12 cuboctahedra, edges with sixteen equivalent CuCu8Pd4 cuboctahedra, faces with four equivalent PdCu12 cuboctahedra, and faces with fourteen CuCu8Pd4 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. In the second Cu site, Cu is bonded to four equivalent Pd and eight Cu atoms to form CuCu8Pd4 cuboctahedra that share corners with twelve equivalent CuCu8Pd4 cuboctahedra, edges with eight equivalent PdCu12 cuboctahedra, edges with sixteen CuCu8Pd4 cuboctahedra, faces with four equivalent PdCu12 cuboctahedra, and faces with fourteen CuCu8Pd4 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å.

Publication Date:
Other Number(s):
mp-580357
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; Cu3Pd; Cu-Pd
OSTI Identifier:
1276771
DOI:
https://doi.org/10.17188/1276771

Citation Formats

The Materials Project. Materials Data on Cu3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276771.
The Materials Project. Materials Data on Cu3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1276771
The Materials Project. 2020. "Materials Data on Cu3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1276771. https://www.osti.gov/servlets/purl/1276771. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276771,
title = {Materials Data on Cu3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3Pd is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Cu atoms to form PdCu12 cuboctahedra that share corners with twelve equivalent PdCu12 cuboctahedra, edges with twenty-four CuCu8Pd4 cuboctahedra, faces with six equivalent PdCu12 cuboctahedra, and faces with twelve CuCu8Pd4 cuboctahedra. All Pd–Cu bond lengths are 2.63 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Pd and eight equivalent Cu atoms to form CuCu8Pd4 cuboctahedra that share corners with twelve equivalent CuCu8Pd4 cuboctahedra, edges with eight equivalent PdCu12 cuboctahedra, edges with sixteen equivalent CuCu8Pd4 cuboctahedra, faces with four equivalent PdCu12 cuboctahedra, and faces with fourteen CuCu8Pd4 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. In the second Cu site, Cu is bonded to four equivalent Pd and eight Cu atoms to form CuCu8Pd4 cuboctahedra that share corners with twelve equivalent CuCu8Pd4 cuboctahedra, edges with eight equivalent PdCu12 cuboctahedra, edges with sixteen CuCu8Pd4 cuboctahedra, faces with four equivalent PdCu12 cuboctahedra, and faces with fourteen CuCu8Pd4 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å.},
doi = {10.17188/1276771},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}