Materials Data on CBrF2 by Materials Project

doi:10.17188/1750954

Title: Materials Data on CBrF2 by Materials Project

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Abstract

CBrF2 is black P structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bromodifluoromethane molecules. C3+ is bonded in a distorted water-like geometry to one Br1- and two F1- atoms. The C–Br bond length is 1.95 Å. Both C–F bond lengths are 1.36 Å. Br1- is bonded in a distorted single-bond geometry to one C3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1214136

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; CBrF2; Br-C-F

OSTI Identifier:: 1750954

DOI:: https://doi.org/10.17188/1750954

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                    The Materials Project. Materials Data on CBrF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1750954.

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                    The Materials Project. Materials Data on CBrF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1750954

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                    The Materials Project. 2020.  
"Materials Data on CBrF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1750954.  https://www.osti.gov/servlets/purl/1750954. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1750954,

  title        = {Materials Data on CBrF2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CBrF2 is black P structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bromodifluoromethane molecules. C3+ is bonded in a distorted water-like geometry to one Br1- and two F1- atoms. The C–Br bond length is 1.95 Å. Both C–F bond lengths are 1.36 Å. Br1- is bonded in a distorted single-bond geometry to one C3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C3+ atom.},

  doi          = {10.17188/1750954},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1750954

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