Materials Data on K2MnN4 by Materials Project

doi:10.17188/1746691

Title: Materials Data on K2MnN4 by Materials Project

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Abstract

K2MnN4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.79–3.31 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven N1- atoms. There are a spread of K–N bond distances ranging from 2.78–3.09 Å. Mn2+ is bonded in a tetrahedral geometry to four N1- atoms. There is two shorter (1.67 Å) and two longer (1.69 Å) Mn–N bond length. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the third N1- site, N1- is bonded in a distorted single-bond geometry to three K1+ and one Mn2+ atom. In the fourth N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1194125

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; K2MnN4; K-Mn-N

OSTI Identifier:: 1746691

DOI:: https://doi.org/10.17188/1746691

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                    The Materials Project. Materials Data on K2MnN4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746691.

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                    The Materials Project. Materials Data on K2MnN4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746691

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                    The Materials Project. 2020.  
"Materials Data on K2MnN4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746691.  https://www.osti.gov/servlets/purl/1746691. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746691,

  title        = {Materials Data on K2MnN4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2MnN4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.79–3.31 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven N1- atoms. There are a spread of K–N bond distances ranging from 2.78–3.09 Å. Mn2+ is bonded in a tetrahedral geometry to four N1- atoms. There is two shorter (1.67 Å) and two longer (1.69 Å) Mn–N bond length. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom. In the third N1- site, N1- is bonded in a distorted single-bond geometry to three K1+ and one Mn2+ atom. In the fourth N1- site, N1- is bonded in a distorted single-bond geometry to four K1+ and one Mn2+ atom.},

  doi          = {10.17188/1746691},

  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/10.17188/1746691

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