Materials Data on PrOF by Materials Project

doi:10.17188/1298661

Title: Materials Data on PrOF by Materials Project

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Abstract

PrOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pr–O bond lengths are 2.40 Å. There are three shorter (2.56 Å) and one longer (2.60 Å) Pr–F bond lengths. O2- is bonded to four equivalent Pr3+ atoms to form distorted OPr4 tetrahedra that share corners with six equivalent OPr4 tetrahedra, corners with ten equivalent FPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form distorted FPr4 tetrahedra that share corners with six equivalent FPr4 tetrahedra, corners with ten equivalent OPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-769173

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; PrOF; F-O-Pr

OSTI Identifier:: 1298661

DOI:: https://doi.org/10.17188/1298661

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                    The Materials Project. Materials Data on PrOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298661.

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                    The Materials Project. Materials Data on PrOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1298661

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                    The Materials Project. 2020.  
"Materials Data on PrOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1298661.  https://www.osti.gov/servlets/purl/1298661. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1298661,

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

  author       = {The Materials Project},

  abstractNote = {PrOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pr–O bond lengths are 2.40 Å. There are three shorter (2.56 Å) and one longer (2.60 Å) Pr–F bond lengths. O2- is bonded to four equivalent Pr3+ atoms to form distorted OPr4 tetrahedra that share corners with six equivalent OPr4 tetrahedra, corners with ten equivalent FPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form distorted FPr4 tetrahedra that share corners with six equivalent FPr4 tetrahedra, corners with ten equivalent OPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra.},

  doi          = {10.17188/1298661},

  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/10.17188/1298661

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