Materials Data on CsN2 by Materials Project

doi:10.17188/1737308

Title: Materials Data on CsN2 by Materials Project

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Abstract

NNCs crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to eight N+0.50- atoms. There are a spread of Cs–N bond distances ranging from 3.12–3.74 Å. There are three inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms. In the second N+0.50- site, N+0.50- is bonded to four equivalent Cs1+ and two equivalent N+0.50- atoms to form distorted edge-sharing NCs4N2 octahedra. Both N–N bond lengths are 1.19 Å. In the third N+0.50- site, N+0.50- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one N+0.50- atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1104441

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; CsN2; Cs-N

OSTI Identifier:: 1737308

DOI:: https://doi.org/10.17188/1737308

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                    The Materials Project. Materials Data on CsN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1737308.

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                    The Materials Project. Materials Data on CsN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1737308

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                    The Materials Project. 2020.  
"Materials Data on CsN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1737308.  https://www.osti.gov/servlets/purl/1737308. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1737308,

  title        = {Materials Data on CsN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NNCs crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to eight N+0.50- atoms. There are a spread of Cs–N bond distances ranging from 3.12–3.74 Å. There are three inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms. In the second N+0.50- site, N+0.50- is bonded to four equivalent Cs1+ and two equivalent N+0.50- atoms to form distorted edge-sharing NCs4N2 octahedra. Both N–N bond lengths are 1.19 Å. In the third N+0.50- site, N+0.50- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one N+0.50- atom.},

  doi          = {10.17188/1737308},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1737308

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