Materials Data on As(NO2)2 by Materials Project

doi:10.17188/1711487

Title: Materials Data on As(NO2)2 by Materials Project

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Abstract

AsNO3NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four AsNO3 clusters. In each AsNO3 cluster, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.64 Å) and one longer (1.97 Å) As–O bond length. N+1.50+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one N+1.50+ atom.

Publication Date:: 2020-05-01

Other Number(s):: mp-1182482

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(NO2)2; As-N-O; crystal structure

OSTI Identifier:: 1711487

DOI:: https://doi.org/10.17188/1711487

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                    Materials Data on As(NO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711487.

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                    Materials Data on As(NO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711487

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                    2020.  
"Materials Data on As(NO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711487.  https://www.osti.gov/servlets/purl/1711487. Pub date:Fri May 01 04:00:00 UTC 2020

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@article{osti_1711487,

  title        = {Materials Data on As(NO2)2 by Materials Project},

  
  abstractNote = {AsNO3NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four AsNO3 clusters. In each AsNO3 cluster, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.64 Å) and one longer (1.97 Å) As–O bond length. N+1.50+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one N+1.50+ atom.},

  doi          = {10.17188/1711487},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711487

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