Materials Data on CsN3 by Materials Project

doi:10.17188/1707267

Title: Materials Data on CsN3 by Materials Project

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Abstract

CsN3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent N+0.33- atoms. All Cs–N bond lengths are 3.35 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four equivalent Cs1+ and one N+0.33- atom.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225892

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; CsN3; Cs-N

OSTI Identifier:: 1707267

DOI:: https://doi.org/10.17188/1707267

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                    The Materials Project. Materials Data on CsN3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707267.

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                    The Materials Project. Materials Data on CsN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707267

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                    The Materials Project. 2019.  
"Materials Data on CsN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707267.  https://www.osti.gov/servlets/purl/1707267. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1707267,

  title        = {Materials Data on CsN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsN3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent N+0.33- atoms. All Cs–N bond lengths are 3.35 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four equivalent Cs1+ and one N+0.33- atom.},

  doi          = {10.17188/1707267},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707267

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