Materials Data on P3N5 by Materials Project

doi:10.17188/1194746

Title: Materials Data on P3N5 by Materials Project

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Abstract

P3N5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to five N3- atoms to form PN5 square pyramids that share corners with four equivalent PN5 square pyramids, corners with two equivalent PN4 tetrahedra, and edges with two equivalent PN5 square pyramids. There is one shorter (1.72 Å) and four longer (1.75 Å) P–N bond length. In the second P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN5 square pyramids and corners with two equivalent PN4 tetrahedra. There is two shorter (1.58 Å) and two longer (1.68 Å) P–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three P5+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1954

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; P3N5; N-P

OSTI Identifier:: 1194746

DOI:: https://doi.org/10.17188/1194746

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                    The Materials Project. Materials Data on P3N5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194746.

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                    The Materials Project. Materials Data on P3N5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194746

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                    The Materials Project. 2020.  
"Materials Data on P3N5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194746.  https://www.osti.gov/servlets/purl/1194746. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1194746,

  title        = {Materials Data on P3N5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P3N5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to five N3- atoms to form PN5 square pyramids that share corners with four equivalent PN5 square pyramids, corners with two equivalent PN4 tetrahedra, and edges with two equivalent PN5 square pyramids. There is one shorter (1.72 Å) and four longer (1.75 Å) P–N bond length. In the second P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN5 square pyramids and corners with two equivalent PN4 tetrahedra. There is two shorter (1.58 Å) and two longer (1.68 Å) P–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three P5+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.},

  doi          = {10.17188/1194746},

  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/10.17188/1194746

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