Materials Data on P4N6O by Materials Project

doi:10.17188/1203016

Title: Materials Data on P4N6O by Materials Project

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Abstract

P4ON6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN3O tetrahedra and an edgeedge with one PN4 tetrahedra. There is two shorter (1.57 Å) and two longer (1.71 Å) P–N bond length. In the second P5+ site, P5+ is bonded to three N3- and one O2- atom to form corner-sharing PN3O tetrahedra. There is two shorter (1.57 Å) and one longer (1.67 Å) P–N bond length. The P–O bond length is 1.59 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three P5+ atoms. O2- is bonded in a linear geometry to two equivalent P5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-28950

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; P4N6O; N-O-P

OSTI Identifier:: 1203016

DOI:: https://doi.org/10.17188/1203016

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                    The Materials Project. Materials Data on P4N6O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203016.

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                    The Materials Project. Materials Data on P4N6O by Materials Project.  United States.  doi:https://doi.org/10.17188/1203016

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                    The Materials Project. 2020.  
"Materials Data on P4N6O by Materials Project".  United States.  doi:https://doi.org/10.17188/1203016.  https://www.osti.gov/servlets/purl/1203016. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203016,

  title        = {Materials Data on P4N6O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P4ON6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN3O tetrahedra and an edgeedge with one PN4 tetrahedra. There is two shorter (1.57 Å) and two longer (1.71 Å) P–N bond length. In the second P5+ site, P5+ is bonded to three N3- and one O2- atom to form corner-sharing PN3O tetrahedra. There is two shorter (1.57 Å) and one longer (1.67 Å) P–N bond length. The P–O bond length is 1.59 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three P5+ atoms. O2- is bonded in a linear geometry to two equivalent P5+ atoms.},

  doi          = {10.17188/1203016},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203016

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