Materials Data on BCl(OF2)2 by Materials Project

doi:10.17188/1270048

Title: Materials Data on BCl(OF2)2 by Materials Project

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Abstract

BF4ClO2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules and four BF4 clusters. In each BF4 cluster, B is bonded in a tetrahedral geometry to four F atoms. There are a spread of B–F bond distances ranging from 1.39–1.45 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a single-bond geometry to one B atom. In the fourth F site, F is bonded in a single-bond geometry to one B atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-557856

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; B-Cl-F-O; BCl(OF2)2; crystal structure

OSTI Identifier:: 1270048

DOI:: https://doi.org/10.17188/1270048

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                    Materials Data on BCl(OF2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270048.

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                    Materials Data on BCl(OF2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270048

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                    2020.  
"Materials Data on BCl(OF2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270048.  https://www.osti.gov/servlets/purl/1270048. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1270048,

  title        = {Materials Data on BCl(OF2)2 by Materials Project},

  
  abstractNote = {BF4ClO2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules and four BF4 clusters. In each BF4 cluster, B is bonded in a tetrahedral geometry to four F atoms. There are a spread of B–F bond distances ranging from 1.39–1.45 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a single-bond geometry to one B atom. In the fourth F site, F is bonded in a single-bond geometry to one B atom.},

  doi          = {10.17188/1270048},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270048

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