Materials Data on NaVH8(NF3)2 by Materials Project

doi:10.17188/1652875

Title: Materials Data on NaVH8(NF3)2 by Materials Project

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Abstract

(NH4)2NaVF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaVF6 framework. In the NaVF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 2.00 Å. F1- is bonded in a linear geometry to one Na1+ and one V3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1209962

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; NaVH8(NF3)2; F-H-N-Na-V

OSTI Identifier:: 1652875

DOI:: https://doi.org/10.17188/1652875

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                    The Materials Project. Materials Data on NaVH8(NF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652875.

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                    The Materials Project. Materials Data on NaVH8(NF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652875

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                    The Materials Project. 2020.  
"Materials Data on NaVH8(NF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652875.  https://www.osti.gov/servlets/purl/1652875. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1652875,

  title        = {Materials Data on NaVH8(NF3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)2NaVF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaVF6 framework. In the NaVF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.29 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 2.00 Å. F1- is bonded in a linear geometry to one Na1+ and one V3+ atom.},

  doi          = {10.17188/1652875},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652875

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