Materials Data on OF3 by Materials Project

doi:10.17188/1314394

Title: Materials Data on OF3 by Materials Project

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Abstract

OF3OFF2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules, one hypofluorous acid molecule, and one OF3 cluster. In the OF3 cluster, O is bonded in a water-like geometry to three F atoms. There are a spread of O–F bond distances ranging from 1.42–2.00 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one O atom. In the second F site, F is bonded in a single-bond geometry to one O atom. In the third F site, F is bonded in a single-bond geometry to one O atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-974002

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; crystal structure; F-O; OF3

OSTI Identifier:: 1314394

DOI:: https://doi.org/10.17188/1314394

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                    Materials Data on OF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314394.

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                    Materials Data on OF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314394

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                    2020.  
"Materials Data on OF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314394.  https://www.osti.gov/servlets/purl/1314394. Pub date:Wed Jul 22 20:00:00 EDT 2020

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@article{osti_1314394,

  title        = {Materials Data on OF3 by Materials Project},

  
  abstractNote = {OF3OFF2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules, one hypofluorous acid molecule, and one OF3 cluster. In the OF3 cluster, O is bonded in a water-like geometry to three F atoms. There are a spread of O–F bond distances ranging from 1.42–2.00 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one O atom. In the second F site, F is bonded in a single-bond geometry to one O atom. In the third F site, F is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1314394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314394

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