Materials Data on CeOF by Materials Project

doi:10.17188/1289729

Title: Materials Data on CeOF by Materials Project

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Abstract

CeOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.36 Å) and three longer (2.38 Å) Ce–O bond lengths. There are three shorter (2.57 Å) and one longer (2.60 Å) Ce–F bond lengths. O2- is bonded to four equivalent Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with six equivalent OCe4 tetrahedra, corners with ten equivalent FCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form distorted FCe4 tetrahedra that share corners with six equivalent FCe4 tetrahedra, corners with ten equivalent OCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-755007

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; CeOF; Ce-F-O

OSTI Identifier:: 1289729

DOI:: https://doi.org/10.17188/1289729

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                    The Materials Project. Materials Data on CeOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289729.

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                    The Materials Project. Materials Data on CeOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1289729

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                    The Materials Project. 2020.  
"Materials Data on CeOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1289729.  https://www.osti.gov/servlets/purl/1289729. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1289729,

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

  author       = {The Materials Project},

  abstractNote = {CeOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.36 Å) and three longer (2.38 Å) Ce–O bond lengths. There are three shorter (2.57 Å) and one longer (2.60 Å) Ce–F bond lengths. O2- is bonded to four equivalent Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with six equivalent OCe4 tetrahedra, corners with ten equivalent FCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form distorted FCe4 tetrahedra that share corners with six equivalent FCe4 tetrahedra, corners with ten equivalent OCe4 tetrahedra, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent FCe4 tetrahedra.},

  doi          = {10.17188/1289729},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1289729

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