Materials Data on Na3P6N11 by Materials Project

doi:10.17188/1202289

Title: Materials Data on Na3P6N11 by Materials Project

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Abstract

Na3P6N11 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.48 Å) and three longer (2.84 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to eight N3- atoms. There are a spread of Na–N bond distances ranging from 2.87–3.19 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.46 Å) and three longer (2.73 Å) Na–N bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.74 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.74 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Na1+ and three equivalent P5+ atoms. In themore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-28161

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; Na3P6N11; N-Na-P

OSTI Identifier:: 1202289

DOI:: https://doi.org/10.17188/1202289

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                    The Materials Project. Materials Data on Na3P6N11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202289.

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                    The Materials Project. Materials Data on Na3P6N11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202289

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                    The Materials Project. 2020.  
"Materials Data on Na3P6N11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202289.  https://www.osti.gov/servlets/purl/1202289. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1202289,

  title        = {Materials Data on Na3P6N11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3P6N11 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.48 Å) and three longer (2.84 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to eight N3- atoms. There are a spread of Na–N bond distances ranging from 2.87–3.19 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.46 Å) and three longer (2.73 Å) Na–N bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.74 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.74 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Na1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two Na1+ and two P5+ atoms. In the third N3- site, N3- is bonded in a water-like geometry to two equivalent Na1+ and two P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to one Na1+ and three equivalent P5+ atoms. In the fifth N3- site, N3- is bonded in a 4-coordinate geometry to two Na1+ and two P5+ atoms.},

  doi          = {10.17188/1202289},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202289

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