Materials Data on CeU4O10 by Materials Project

doi:10.17188/1687895

Title: Materials Data on CeU4O10 by Materials Project

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Abstract

U4CeO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U+4.25+ sites. In the first U+4.25+ site, U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.24–2.35 Å. In the second U+4.25+ site, U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.36 Å. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.39 Å) and two longer (2.46 Å) Ce–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent U+4.25+ and one Ce3+ atom to form OCeU3 tetrahedra that share corners with sixteen OU4 tetrahedra and edges with six OCe3U tetrahedra. In the second O2- site, O2- is bonded to four U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to onemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1226587

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; CeU4O10; Ce-O-U

OSTI Identifier:: 1687895

DOI:: https://doi.org/10.17188/1687895

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                    The Materials Project. Materials Data on CeU4O10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687895.

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                    The Materials Project. Materials Data on CeU4O10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687895

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                    The Materials Project. 2019.  
"Materials Data on CeU4O10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687895.  https://www.osti.gov/servlets/purl/1687895. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1687895,

  title        = {Materials Data on CeU4O10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U4CeO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U+4.25+ sites. In the first U+4.25+ site, U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.24–2.35 Å. In the second U+4.25+ site, U+4.25+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.36 Å. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.39 Å) and two longer (2.46 Å) Ce–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent U+4.25+ and one Ce3+ atom to form OCeU3 tetrahedra that share corners with sixteen OU4 tetrahedra and edges with six OCe3U tetrahedra. In the second O2- site, O2- is bonded to four U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to one U+4.25+ and three equivalent Ce3+ atoms to form OCe3U tetrahedra that share corners with sixteen OU4 tetrahedra and edges with six OCe3U tetrahedra. In the fifth O2- site, O2- is bonded to four U+4.25+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to one U+4.25+ and three equivalent Ce3+ atoms to form OCe3U tetrahedra that share corners with sixteen OCeU3 tetrahedra and edges with six OCe3U tetrahedra. The O–U bond length is 2.24 Å. All O–Ce bond lengths are 2.39 Å.},

  doi          = {10.17188/1687895},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1687895

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