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Title: Materials Data on Ce5CuPb3 by Materials Project

Abstract

Ce5CuPb3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Cu and five Pb atoms to form a mixture of distorted edge, face, and corner-sharing CeCu2Pb5 pentagonal bipyramids. Both Ce–Cu bond lengths are 3.02 Å. There are a spread of Ce–Pb bond distances ranging from 3.25–3.48 Å. In the second Ce site, Ce is bonded to two equivalent Cu and five Pb atoms to form a mixture of distorted edge, face, and corner-sharing CeCu2Pb5 pentagonal bipyramids. Both Ce–Cu bond lengths are 3.02 Å. There are a spread of Ce–Pb bond distances ranging from 3.25–3.48 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to six Pb atoms. There are two shorter (3.42 Å) and four longer (3.43 Å) Ce–Pb bond lengths. Cu is bonded to six Ce atoms to form face-sharing CuCe6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ce atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ce atoms.

Authors:
Publication Date:
Other Number(s):
mp-1189550
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; Ce5CuPb3; Ce-Cu-Pb
OSTI Identifier:
1698453
DOI:
https://doi.org/10.17188/1698453

Citation Formats

The Materials Project. Materials Data on Ce5CuPb3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1698453.
The Materials Project. Materials Data on Ce5CuPb3 by Materials Project. United States. doi:https://doi.org/10.17188/1698453
The Materials Project. 2019. "Materials Data on Ce5CuPb3 by Materials Project". United States. doi:https://doi.org/10.17188/1698453. https://www.osti.gov/servlets/purl/1698453. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1698453,
title = {Materials Data on Ce5CuPb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce5CuPb3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Cu and five Pb atoms to form a mixture of distorted edge, face, and corner-sharing CeCu2Pb5 pentagonal bipyramids. Both Ce–Cu bond lengths are 3.02 Å. There are a spread of Ce–Pb bond distances ranging from 3.25–3.48 Å. In the second Ce site, Ce is bonded to two equivalent Cu and five Pb atoms to form a mixture of distorted edge, face, and corner-sharing CeCu2Pb5 pentagonal bipyramids. Both Ce–Cu bond lengths are 3.02 Å. There are a spread of Ce–Pb bond distances ranging from 3.25–3.48 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to six Pb atoms. There are two shorter (3.42 Å) and four longer (3.43 Å) Ce–Pb bond lengths. Cu is bonded to six Ce atoms to form face-sharing CuCe6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ce atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ce atoms.},
doi = {10.17188/1698453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}