Materials Data on NbVF6 by Materials Project

doi:10.17188/1269657

Title: Materials Data on NbVF6 by Materials Project

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Abstract

VNbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Nb–F bond lengths are 2.02 Å. V4+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 25°. All V–F bond lengths are 2.09 Å. F1- is bonded in a bent 150 degrees geometry to one Nb2+ and one V4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-557023

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; NbVF6; F-Nb-V

OSTI Identifier:: 1269657

DOI:: https://doi.org/10.17188/1269657

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                    The Materials Project. Materials Data on NbVF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269657.

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                    The Materials Project. Materials Data on NbVF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269657

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                    The Materials Project. 2020.  
"Materials Data on NbVF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269657.  https://www.osti.gov/servlets/purl/1269657. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269657,

  title        = {Materials Data on NbVF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VNbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Nb–F bond lengths are 2.02 Å. V4+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 25°. All V–F bond lengths are 2.09 Å. F1- is bonded in a bent 150 degrees geometry to one Nb2+ and one V4+ atom.},

  doi          = {10.17188/1269657},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269657

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