Materials Data on As(NF2)3 by Materials Project

doi:10.17188/1654892

Title: Materials Data on As(NF2)3 by Materials Project

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Abstract

N2AsNF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one AsNF6 ribbon oriented in the (1, 0, 0) direction. In the AsNF6 ribbon, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.89 Å. N+0.33+ is bonded in a linear 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 As5+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N+0.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

Publication Date:: Sat Jan 12 04:00:00 UTC 2019

Other Number(s):: mp-1214773

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; As(NF2)3; As-F-N; crystal structure

OSTI Identifier:: 1654892

DOI:: https://doi.org/10.17188/1654892

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                    Materials Data on As(NF2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1654892.

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                    Materials Data on As(NF2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654892

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                    2019.  
"Materials Data on As(NF2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654892.  https://www.osti.gov/servlets/purl/1654892. Pub date:Sat Jan 12 04:00:00 UTC 2019

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@article{osti_1654892,

  title        = {Materials Data on As(NF2)3 by Materials Project},

  
  abstractNote = {N2AsNF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one AsNF6 ribbon oriented in the (1, 0, 0) direction. In the AsNF6 ribbon, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.89 Å. N+0.33+ is bonded in a linear 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 As5+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N+0.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},

  doi          = {10.17188/1654892},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 04:00:00 UTC 2019},

  month        = {Sat Jan 12 04:00:00 UTC 2019}

}

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DOI: https://doi.org/10.17188/1654892

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