Materials Data on Ce5CuPb3 by Materials Project

doi:10.17188/1698453

Title: Materials Data on Ce5CuPb3 by Materials Project

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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:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

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

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                    The Materials Project. Materials Data on Ce5CuPb3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698453.

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                    The Materials Project. Materials Data on Ce5CuPb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698453

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                    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

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@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         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1698453

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