Materials Data on Ce5NiPb3 by Materials Project

doi:10.17188/1279937

Title: Materials Data on Ce5NiPb3 by Materials Project

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Abstract

Ce5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Ni and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing CeNi2Pb5 pentagonal bipyramids. Both Ce–Ni bond lengths are 2.80 Å. There are a spread of Ce–Pb bond distances ranging from 3.31–3.55 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ce–Pb bond lengths are 3.36 Å. Ni is bonded to six equivalent Ce atoms to form face-sharing NiCe6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ce atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-640447

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; Ce5NiPb3; Ce-Ni-Pb

OSTI Identifier:: 1279937

DOI:: https://doi.org/10.17188/1279937

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                    The Materials Project. Materials Data on Ce5NiPb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279937.

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                    The Materials Project. Materials Data on Ce5NiPb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279937

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                    The Materials Project. 2020.  
"Materials Data on Ce5NiPb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279937.  https://www.osti.gov/servlets/purl/1279937. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1279937,

  title        = {Materials Data on Ce5NiPb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Ni and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing CeNi2Pb5 pentagonal bipyramids. Both Ce–Ni bond lengths are 2.80 Å. There are a spread of Ce–Pb bond distances ranging from 3.31–3.55 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ce–Pb bond lengths are 3.36 Å. Ni is bonded to six equivalent Ce atoms to form face-sharing NiCe6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ce atoms.},

  doi          = {10.17188/1279937},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279937

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