Materials Data on BNF4 by Materials Project

doi:10.17188/1672751

Title: Materials Data on BNF4 by Materials Project

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Abstract

NBF4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NBF4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.35–1.51 Å. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one B3+ and one N1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1182455

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; BNF4; B-F-N

OSTI Identifier:: 1672751

DOI:: https://doi.org/10.17188/1672751

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                    The Materials Project. Materials Data on BNF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672751.

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                    The Materials Project. Materials Data on BNF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672751

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                    The Materials Project. 2020.  
"Materials Data on BNF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672751.  https://www.osti.gov/servlets/purl/1672751. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1672751,

  title        = {Materials Data on BNF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NBF4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NBF4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.35–1.51 Å. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one B3+ and one N1+ atom.},

  doi          = {10.17188/1672751},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672751

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