Materials Data on ErOF by Materials Project

doi:10.17188/1743873

Title: Materials Data on ErOF by Materials Project

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Abstract

ErOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Er–O bond lengths are 2.26 Å. There are three shorter (2.43 Å) and one longer (2.46 Å) Er–F bond lengths. O2- is bonded to four equivalent Er3+ atoms to form distorted OEr4 tetrahedra that share corners with six equivalent OEr4 tetrahedra, corners with ten equivalent FEr4 tetrahedra, edges with three equivalent OEr4 tetrahedra, and edges with three equivalent FEr4 tetrahedra. F1- is bonded to four equivalent Er3+ atoms to form distorted FEr4 tetrahedra that share corners with six equivalent FEr4 tetrahedra, corners with ten equivalent OEr4 tetrahedra, edges with three equivalent OEr4 tetrahedra, and edges with three equivalent FEr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1072193

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; ErOF; Er-F-O

OSTI Identifier:: 1743873

DOI:: https://doi.org/10.17188/1743873

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                    The Materials Project. Materials Data on ErOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743873.

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                    The Materials Project. Materials Data on ErOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1743873

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                    The Materials Project. 2020.  
"Materials Data on ErOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1743873.  https://www.osti.gov/servlets/purl/1743873. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743873,

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

  author       = {The Materials Project},

  abstractNote = {ErOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Er–O bond lengths are 2.26 Å. There are three shorter (2.43 Å) and one longer (2.46 Å) Er–F bond lengths. O2- is bonded to four equivalent Er3+ atoms to form distorted OEr4 tetrahedra that share corners with six equivalent OEr4 tetrahedra, corners with ten equivalent FEr4 tetrahedra, edges with three equivalent OEr4 tetrahedra, and edges with three equivalent FEr4 tetrahedra. F1- is bonded to four equivalent Er3+ atoms to form distorted FEr4 tetrahedra that share corners with six equivalent FEr4 tetrahedra, corners with ten equivalent OEr4 tetrahedra, edges with three equivalent OEr4 tetrahedra, and edges with three equivalent FEr4 tetrahedra.},

  doi          = {10.17188/1743873},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743873

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