Materials Data on CeU5O12 by Materials Project

doi:10.17188/1289039

Title: Materials Data on CeU5O12 by Materials Project

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Abstract

U5CeO12 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent U+4.20+ sites. In the first U+4.20+ site, U+4.20+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.34 Å) and two longer (2.36 Å) U–O bond lengths. In the second U+4.20+ site, U+4.20+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.35 Å. In the third U+4.20+ site, U+4.20+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.35 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Ce–O bond lengths are 2.41 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three U+4.20+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra. In the second O2- site, O2- is bonded to four U+4.20+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to three U+4.20+ and one Ce3+ atommore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-753493

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; CeU5O12; Ce-O-U

OSTI Identifier:: 1289039

DOI:: https://doi.org/10.17188/1289039

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                    The Materials Project. Materials Data on CeU5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289039.

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                    The Materials Project. Materials Data on CeU5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289039

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                    The Materials Project. 2020.  
"Materials Data on CeU5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289039.  https://www.osti.gov/servlets/purl/1289039. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289039,

  title        = {Materials Data on CeU5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U5CeO12 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent U+4.20+ sites. In the first U+4.20+ site, U+4.20+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.34 Å) and two longer (2.36 Å) U–O bond lengths. In the second U+4.20+ site, U+4.20+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.35 Å. In the third U+4.20+ site, U+4.20+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.35 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Ce–O bond lengths are 2.41 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three U+4.20+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra. In the second O2- site, O2- is bonded to four U+4.20+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to three U+4.20+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra. In the fourth O2- site, O2- is bonded to three U+4.20+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra.},

  doi          = {10.17188/1289039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289039

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