Materials Data on Ce5Pb3O by Materials Project

doi:10.17188/1262900

Title: Materials Data on Ce5Pb3O by Materials Project

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Abstract

Ce5Pb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of Ce–Pb bond distances ranging from 3.28–3.54 Å. The Ce–O bond length is 2.35 Å. In the second Ce site, Ce is bonded to six Pb atoms to form corner-sharing CePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are four shorter (3.30 Å) and two longer (3.59 Å) Ce–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight Ce atoms. In the second Pb site, Pb is bonded in a distorted q6 geometry to ten Ce atoms. O is bonded in a tetrahedral geometry to four equivalent Ce atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-510369

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; Ce5Pb3O; Ce-O-Pb

OSTI Identifier:: 1262900

DOI:: https://doi.org/10.17188/1262900

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                    The Materials Project. Materials Data on Ce5Pb3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262900.

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                    The Materials Project. Materials Data on Ce5Pb3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1262900

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                    The Materials Project. 2020.  
"Materials Data on Ce5Pb3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1262900.  https://www.osti.gov/servlets/purl/1262900. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1262900,

  title        = {Materials Data on Ce5Pb3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce5Pb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of Ce–Pb bond distances ranging from 3.28–3.54 Å. The Ce–O bond length is 2.35 Å. In the second Ce site, Ce is bonded to six Pb atoms to form corner-sharing CePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are four shorter (3.30 Å) and two longer (3.59 Å) Ce–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight Ce atoms. In the second Pb site, Pb is bonded in a distorted q6 geometry to ten Ce atoms. O is bonded in a tetrahedral geometry to four equivalent Ce atoms.},

  doi          = {10.17188/1262900},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262900

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