Materials Data on KLi(C2N3)2 by Materials Project

doi:10.17188/1695315

Title: Materials Data on KLi(C2N3)2 by Materials Project

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Abstract

KLi(C2N3)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. All K–N bond lengths are 3.05 Å. Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.07 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.29 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Li1+, and one C4+ atom.

Publication Date:: Thu Jan 10 23:00:00 EST 2019

Other Number(s):: mp-1190477

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; C-K-Li-N; KLi(C2N3)2; crystal structure

OSTI Identifier:: 1695315

DOI:: https://doi.org/10.17188/1695315

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                    Materials Data on KLi(C2N3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1695315.

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                    Materials Data on KLi(C2N3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695315

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                    2019.  
"Materials Data on KLi(C2N3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695315.  https://www.osti.gov/servlets/purl/1695315. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1695315,

  title        = {Materials Data on KLi(C2N3)2 by Materials Project},

  
  abstractNote = {KLi(C2N3)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. All K–N bond lengths are 3.05 Å. Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.07 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.29 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Li1+, and one C4+ atom.},

  doi          = {10.17188/1695315},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jan 10 23:00:00 EST 2019},

  month        = {Thu Jan 10 23:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1695315

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