Materials Data on K3P6N11 by Materials Project

doi:10.17188/1190731

Title: Materials Data on K3P6N11 by Materials Project

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Abstract

K3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of K–N bond distances ranging from 2.78–3.48 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.13 Å) and six longer (3.31 Å) K–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one K1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four K1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent P5+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-14565

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; K3P6N11; K-N-P

OSTI Identifier:: 1190731

DOI:: https://doi.org/10.17188/1190731

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                    The Materials Project. Materials Data on K3P6N11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190731.

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                    The Materials Project. Materials Data on K3P6N11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190731

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                    The Materials Project. 2020.  
"Materials Data on K3P6N11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190731.  https://www.osti.gov/servlets/purl/1190731. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1190731,

  title        = {Materials Data on K3P6N11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of K–N bond distances ranging from 2.78–3.48 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.13 Å) and six longer (3.31 Å) K–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one K1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four K1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent P5+ atoms.},

  doi          = {10.17188/1190731},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1190731

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