Materials Data on NaP4N7 by Materials Project

doi:10.17188/1204047

Title: Materials Data on NaP4N7 by Materials Project

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Abstract

NaP4N7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–2.73 Å. 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 1.58–1.73 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 1.60–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three P5+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two P5+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two equivalent P5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-29598

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; NaP4N7; N-Na-P

OSTI Identifier:: 1204047

DOI:: https://doi.org/10.17188/1204047

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                    The Materials Project. Materials Data on NaP4N7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204047.

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                    The Materials Project. Materials Data on NaP4N7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204047

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                    The Materials Project. 2020.  
"Materials Data on NaP4N7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204047.  https://www.osti.gov/servlets/purl/1204047. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1204047,

  title        = {Materials Data on NaP4N7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaP4N7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–2.73 Å. 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 1.58–1.73 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 1.60–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three P5+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two P5+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two equivalent P5+ atoms.},

  doi          = {10.17188/1204047},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204047

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