Materials Data on VH6(OF)3 by Materials Project

doi:10.17188/1717017

Title: Materials Data on VH6(OF)3 by Materials Project

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Abstract

VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V3+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The V–O bond length is 1.60 Å. All V–F bond lengths are 1.76 Å. O2- is bonded in a single-bond geometry to one V3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1178817

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; F-H-O-V; VH6(OF)3; crystal structure

OSTI Identifier:: 1717017

DOI:: https://doi.org/10.17188/1717017

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                    Materials Data on VH6(OF)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717017.

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                    Materials Data on VH6(OF)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717017

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                    2020.  
"Materials Data on VH6(OF)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717017.  https://www.osti.gov/servlets/purl/1717017. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1717017,

  title        = {Materials Data on VH6(OF)3 by Materials Project},

  
  abstractNote = {VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V3+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The V–O bond length is 1.60 Å. All V–F bond lengths are 1.76 Å. O2- is bonded in a single-bond geometry to one V3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.},

  doi          = {10.17188/1717017},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1717017

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