Materials Data on Ce2O3 by Materials Project

doi:10.17188/1266495

Title: Materials Data on Ce2O3 by Materials Project

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Abstract

Ce2O3 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ce–O bond lengths are 2.38 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CeO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are a spread of Ce–O bond distances ranging from 2.34–2.46 Å. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-542313

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; Ce2O3; Ce-O

OSTI Identifier:: 1266495

DOI:: https://doi.org/10.17188/1266495

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                    The Materials Project. Materials Data on Ce2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266495.

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                    The Materials Project. Materials Data on Ce2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266495

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                    The Materials Project. 2020.  
"Materials Data on Ce2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266495.  https://www.osti.gov/servlets/purl/1266495. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1266495,

  title        = {Materials Data on Ce2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2O3 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ce–O bond lengths are 2.38 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CeO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are a spread of Ce–O bond distances ranging from 2.34–2.46 Å. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.},

  doi          = {10.17188/1266495},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1266495

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