Materials Data on PH2F3 by Materials Project

doi:10.17188/1203985

Title: Materials Data on PH2F3 by Materials Project

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Abstract

PH2F3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four phosphorus trifluoride molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent H1- and three F1- atoms. Both P–H bond lengths are 1.40 Å. There are a spread of P–F bond distances ranging from 1.58–1.67 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-29515

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; PH2F3; F-H-P

OSTI Identifier:: 1203985

DOI:: https://doi.org/10.17188/1203985

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                    The Materials Project. Materials Data on PH2F3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203985.

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                    The Materials Project. Materials Data on PH2F3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203985

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                    The Materials Project. 2020.  
"Materials Data on PH2F3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203985.  https://www.osti.gov/servlets/purl/1203985. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203985,

  title        = {Materials Data on PH2F3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PH2F3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four phosphorus trifluoride molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent H1- and three F1- atoms. Both P–H bond lengths are 1.40 Å. There are a spread of P–F bond distances ranging from 1.58–1.67 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.},

  doi          = {10.17188/1203985},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203985

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