Materials Data on P2N2O5 by Materials Project

doi:10.17188/1732926

Title: Materials Data on P2N2O5 by Materials Project

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Abstract

P2N2O3O2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two P2N2O3 clusters. In each P2N2O3 cluster, there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to two N and two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) P–N bond length. Both P–O bond lengths are 1.52 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to two N and two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) P–N bond length. Both P–O bond lengths are 1.52 Å. In the third P5+ site, P5+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. The P–O bond length is 1.46 Å. In the fourth P5+ site, P5+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. The P–O bond length is 1.46 Å. There are four inequivalent Nmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1180026

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; P2N2O5; N-O-P

OSTI Identifier:: 1732926

DOI:: https://doi.org/10.17188/1732926

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                    The Materials Project. Materials Data on P2N2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732926.

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                    The Materials Project. Materials Data on P2N2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732926

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                    The Materials Project. 2020.  
"Materials Data on P2N2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732926.  https://www.osti.gov/servlets/purl/1732926. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732926,

  title        = {Materials Data on P2N2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P2N2O3O2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two P2N2O3 clusters. In each P2N2O3 cluster, there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to two N and two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) P–N bond length. Both P–O bond lengths are 1.52 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to two N and two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) P–N bond length. Both P–O bond lengths are 1.52 Å. In the third P5+ site, P5+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. The P–O bond length is 1.46 Å. In the fourth P5+ site, P5+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. The P–O bond length is 1.46 Å. There are four inequivalent N sites. In the first N site, N is bonded in a linear geometry to two P5+ atoms. In the second N site, N is bonded in a linear geometry to two P5+ atoms. In the third N site, N is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth N site, N is bonded in a bent 150 degrees geometry to two P5+ atoms. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.},

  doi          = {10.17188/1732926},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732926

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