Materials Data on ZrCuF6 by Materials Project

doi:10.17188/1282199

Title: Materials Data on ZrCuF6 by Materials Project

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Abstract

CuZrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Zr–F bond lengths are 2.04 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Cu–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Zr4+ and one Cu2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8096

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; ZrCuF6; Cu-F-Zr

OSTI Identifier:: 1282199

DOI:: https://doi.org/10.17188/1282199

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                    The Materials Project. Materials Data on ZrCuF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282199.

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                    The Materials Project. Materials Data on ZrCuF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282199

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                    The Materials Project. 2020.  
"Materials Data on ZrCuF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282199.  https://www.osti.gov/servlets/purl/1282199. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1282199,

  title        = {Materials Data on ZrCuF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuZrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Zr–F bond lengths are 2.04 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Cu–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Zr4+ and one Cu2+ atom.},

  doi          = {10.17188/1282199},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1282199

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