Materials Data on PrOF by Materials Project

doi:10.17188/1207121

Title: Materials Data on PrOF by Materials Project

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Abstract

PrOF is half-Heusler structured and crystallizes in the cubic F-43m 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 2.47 Å. All Pr–F bond lengths are 2.47 Å. O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with four equivalent FPr4 tetrahedra, corners with twelve equivalent OPr4 tetrahedra, and edges with six equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form FPr4 tetrahedra that share corners with four equivalent OPr4 tetrahedra, corners with twelve equivalent FPr4 tetrahedra, and edges with six equivalent OPr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-36033

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:: 1207121

DOI:: https://doi.org/10.17188/1207121

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                    The Materials Project. Materials Data on PrOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207121.

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                    The Materials Project. Materials Data on PrOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1207121

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                    The Materials Project. 2020.  
"Materials Data on PrOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1207121.  https://www.osti.gov/servlets/purl/1207121. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1207121,

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

  author       = {The Materials Project},

  abstractNote = {PrOF is half-Heusler structured and crystallizes in the cubic F-43m 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 2.47 Å. All Pr–F bond lengths are 2.47 Å. O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with four equivalent FPr4 tetrahedra, corners with twelve equivalent OPr4 tetrahedra, and edges with six equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form FPr4 tetrahedra that share corners with four equivalent OPr4 tetrahedra, corners with twelve equivalent FPr4 tetrahedra, and edges with six equivalent OPr4 tetrahedra.},

  doi          = {10.17188/1207121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207121

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