Materials Data on K3BN2 by Materials Project

doi:10.17188/1717101

Title: Materials Data on K3BN2 by Materials Project

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Abstract

K3BN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four N3- atoms to form a mixture of distorted corner and edge-sharing KN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.87–3.03 Å. In the second K1+ site, K1+ is bonded to four N3- atoms to form a mixture of distorted corner and edge-sharing KN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.85–3.06 Å. In the third K1+ site, K1+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing KN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.75–2.87 Å. B3+ is bonded in a linear geometry to two N3- atoms. Both B–N bond lengths are 1.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to six K1+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to six K1+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1029756

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; K3BN2; B-K-N

OSTI Identifier:: 1717101

DOI:: https://doi.org/10.17188/1717101

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                    The Materials Project. Materials Data on K3BN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717101.

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                    The Materials Project. Materials Data on K3BN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717101

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                    The Materials Project. 2020.  
"Materials Data on K3BN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717101.  https://www.osti.gov/servlets/purl/1717101. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1717101,

  title        = {Materials Data on K3BN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3BN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four N3- atoms to form a mixture of distorted corner and edge-sharing KN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.87–3.03 Å. In the second K1+ site, K1+ is bonded to four N3- atoms to form a mixture of distorted corner and edge-sharing KN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.85–3.06 Å. In the third K1+ site, K1+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing KN4 tetrahedra. There are a spread of K–N bond distances ranging from 2.75–2.87 Å. B3+ is bonded in a linear geometry to two N3- atoms. Both B–N bond lengths are 1.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to six K1+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to six K1+ and one B3+ atom.},

  doi          = {10.17188/1717101},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1717101

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