Materials Data on DyOF by Materials Project

doi:10.17188/1729178

Title: Materials Data on DyOF by Materials Project

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Abstract

DyOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Dy–O bond lengths. There are three shorter (2.45 Å) and one longer (2.47 Å) Dy–F bond lengths. O2- is bonded to four equivalent Dy3+ atoms to form distorted ODy4 tetrahedra that share corners with six equivalent ODy4 tetrahedra, corners with ten equivalent FDy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra. F1- is bonded to four equivalent Dy3+ atoms to form distorted FDy4 tetrahedra that share corners with six equivalent FDy4 tetrahedra, corners with ten equivalent ODy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1072208

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; DyOF; Dy-F-O

OSTI Identifier:: 1729178

DOI:: https://doi.org/10.17188/1729178

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                    The Materials Project. Materials Data on DyOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729178.

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                    The Materials Project. Materials Data on DyOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1729178

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                    The Materials Project. 2020.  
"Materials Data on DyOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1729178.  https://www.osti.gov/servlets/purl/1729178. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1729178,

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

  author       = {The Materials Project},

  abstractNote = {DyOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Dy–O bond lengths. There are three shorter (2.45 Å) and one longer (2.47 Å) Dy–F bond lengths. O2- is bonded to four equivalent Dy3+ atoms to form distorted ODy4 tetrahedra that share corners with six equivalent ODy4 tetrahedra, corners with ten equivalent FDy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra. F1- is bonded to four equivalent Dy3+ atoms to form distorted FDy4 tetrahedra that share corners with six equivalent FDy4 tetrahedra, corners with ten equivalent ODy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra.},

  doi          = {10.17188/1729178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729178

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