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Title: Materials Data on CuPb3 by Materials Project

Abstract

CuPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu is bonded to twelve Pb atoms to form CuPb12 cuboctahedra that share corners with four equivalent CuPb12 cuboctahedra, corners with eight equivalent PbCu4Pb8 cuboctahedra, edges with eight equivalent CuPb12 cuboctahedra, edges with sixteen equivalent PbCu4Pb8 cuboctahedra, faces with four equivalent CuPb12 cuboctahedra, and faces with fourteen PbCu4Pb8 cuboctahedra. There are eight shorter (3.33 Å) and four longer (3.40 Å) Cu–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent Cu and eight Pb atoms to form distorted PbCu4Pb8 cuboctahedra that share corners with twelve equivalent PbCu4Pb8 cuboctahedra, edges with eight equivalent CuPb12 cuboctahedra, edges with sixteen PbCu4Pb8 cuboctahedra, faces with four equivalent CuPb12 cuboctahedra, and faces with fourteen PbCu4Pb8 cuboctahedra. There are four shorter (3.33 Å) and four longer (3.40 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to four equivalent Cu and eight equivalent Pb atoms to form PbCu4Pb8 cuboctahedra that share corners with four equivalent PbCu4Pb8 cuboctahedra, corners with eight equivalent CuPb12 cuboctahedra, edges with twenty-four PbCu4Pb8 cuboctahedra, faces with six equivalent CuPb12 cuboctahedra, and facesmore » with twelve PbCu4Pb8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1184185
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; CuPb3; Cu-Pb
OSTI Identifier:
1676263
DOI:
https://doi.org/10.17188/1676263

Citation Formats

The Materials Project. Materials Data on CuPb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676263.
The Materials Project. Materials Data on CuPb3 by Materials Project. United States. doi:https://doi.org/10.17188/1676263
The Materials Project. 2020. "Materials Data on CuPb3 by Materials Project". United States. doi:https://doi.org/10.17188/1676263. https://www.osti.gov/servlets/purl/1676263. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1676263,
title = {Materials Data on CuPb3 by Materials Project},
author = {The Materials Project},
abstractNote = {CuPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu is bonded to twelve Pb atoms to form CuPb12 cuboctahedra that share corners with four equivalent CuPb12 cuboctahedra, corners with eight equivalent PbCu4Pb8 cuboctahedra, edges with eight equivalent CuPb12 cuboctahedra, edges with sixteen equivalent PbCu4Pb8 cuboctahedra, faces with four equivalent CuPb12 cuboctahedra, and faces with fourteen PbCu4Pb8 cuboctahedra. There are eight shorter (3.33 Å) and four longer (3.40 Å) Cu–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent Cu and eight Pb atoms to form distorted PbCu4Pb8 cuboctahedra that share corners with twelve equivalent PbCu4Pb8 cuboctahedra, edges with eight equivalent CuPb12 cuboctahedra, edges with sixteen PbCu4Pb8 cuboctahedra, faces with four equivalent CuPb12 cuboctahedra, and faces with fourteen PbCu4Pb8 cuboctahedra. There are four shorter (3.33 Å) and four longer (3.40 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to four equivalent Cu and eight equivalent Pb atoms to form PbCu4Pb8 cuboctahedra that share corners with four equivalent PbCu4Pb8 cuboctahedra, corners with eight equivalent CuPb12 cuboctahedra, edges with twenty-four PbCu4Pb8 cuboctahedra, faces with six equivalent CuPb12 cuboctahedra, and faces with twelve PbCu4Pb8 cuboctahedra.},
doi = {10.17188/1676263},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}