Materials Data on K3YN6 by Materials Project

doi:10.17188/1662953

Title: Materials Data on K3YN6 by Materials Project

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Abstract

K3YN6 crystallizes in the trigonal R32 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 2.92–3.34 Å. In the second 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 2.87–3.34 Å. Y3+ is bonded in an octahedral geometry to six N1- atoms. There are three shorter (2.27 Å) and three longer (2.31 Å) Y–N bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom. In the second N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-1189218

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; K3YN6; K-N-Y

OSTI Identifier:: 1662953

DOI:: https://doi.org/10.17188/1662953

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                    The Materials Project. Materials Data on K3YN6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662953.

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                    The Materials Project. Materials Data on K3YN6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662953

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                    The Materials Project. 2020.  
"Materials Data on K3YN6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662953.  https://www.osti.gov/servlets/purl/1662953. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1662953,

  title        = {Materials Data on K3YN6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3YN6 crystallizes in the trigonal R32 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 2.92–3.34 Å. In the second 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 2.87–3.34 Å. Y3+ is bonded in an octahedral geometry to six N1- atoms. There are three shorter (2.27 Å) and three longer (2.31 Å) Y–N bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom. In the second N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom.},

  doi          = {10.17188/1662953},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662953

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