Materials Data on CoBrN5O4 by Materials Project

doi:10.17188/1677269

Title: Materials Data on CoBrN5O4 by Materials Project

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Abstract

CoN3(NO2)2Br crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, eight nitrous acid molecules, and four CoN3 clusters. In each CoN3 cluster, Co2+ is bonded in a distorted trigonal planar geometry to three N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.53–1.81 Å. There are three inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1205182

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; Br-Co-N-O; CoBrN5O4; crystal structure

OSTI Identifier:: 1677269

DOI:: https://doi.org/10.17188/1677269

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                    Materials Data on CoBrN5O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677269.

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                    Materials Data on CoBrN5O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677269

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                    2020.  
"Materials Data on CoBrN5O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677269.  https://www.osti.gov/servlets/purl/1677269. Pub date:Wed Apr 29 20:00:00 EDT 2020

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@article{osti_1677269,

  title        = {Materials Data on CoBrN5O4 by Materials Project},

  
  abstractNote = {CoN3(NO2)2Br crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, eight nitrous acid molecules, and four CoN3 clusters. In each CoN3 cluster, Co2+ is bonded in a distorted trigonal planar geometry to three N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.53–1.81 Å. There are three inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom.},

  doi          = {10.17188/1677269},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1677269

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