Materials Data on CeUO4 by Materials Project

doi:10.17188/1741753

Title: Materials Data on CeUO4 by Materials Project

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Abstract

UCeO4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.34 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.40 Å) and two longer (2.43 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one U5+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe3U tetrahedra. In the second O2- site, O2- is bonded to three equivalent U5+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1226546

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; CeUO4; Ce-O-U

OSTI Identifier:: 1741753

DOI:: https://doi.org/10.17188/1741753

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                    The Materials Project. Materials Data on CeUO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741753.

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                    The Materials Project. Materials Data on CeUO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741753

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                    The Materials Project. 2020.  
"Materials Data on CeUO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741753.  https://www.osti.gov/servlets/purl/1741753. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741753,

  title        = {Materials Data on CeUO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCeO4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.34 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.40 Å) and two longer (2.43 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one U5+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe3U tetrahedra. In the second O2- site, O2- is bonded to three equivalent U5+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra.},

  doi          = {10.17188/1741753},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741753

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