Materials Data on P2O2F3 by Materials Project

doi:10.17188/1273137

Title: Materials Data on P2O2F3 by Materials Project

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Abstract

P2O2F3 crystallizes in the trigonal P3c1 space group. The structure is zero-dimensional and consists of six tris(difluorophosphanyl) phosphate molecules. there are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the second P+3.50+ site, P+3.50+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The P–O bond length is 1.67 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+3.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-565711

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; P2O2F3; F-O-P

OSTI Identifier:: 1273137

DOI:: https://doi.org/10.17188/1273137

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                    The Materials Project. Materials Data on P2O2F3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273137.

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                    The Materials Project. Materials Data on P2O2F3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273137

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                    The Materials Project. 2020.  
"Materials Data on P2O2F3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273137.  https://www.osti.gov/servlets/purl/1273137. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1273137,

  title        = {Materials Data on P2O2F3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P2O2F3 crystallizes in the trigonal P3c1 space group. The structure is zero-dimensional and consists of six tris(difluorophosphanyl) phosphate molecules. there are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the second P+3.50+ site, P+3.50+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The P–O bond length is 1.67 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+3.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom.},

  doi          = {10.17188/1273137},

  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/10.17188/1273137

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