Materials Data on P(HO)3 by Materials Project

doi:10.17188/1278337

Title: Materials Data on P(HO)3 by Materials Project

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Abstract

H3PO3 is alpha Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight phosphorous acid molecules.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-625231

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; P(HO)3; H-O-P

OSTI Identifier:: 1278337

DOI:: https://doi.org/10.17188/1278337

Citation Formats


                    The Materials Project. Materials Data on P(HO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278337.

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                    The Materials Project. Materials Data on P(HO)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278337

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                    The Materials Project. 2020.  
"Materials Data on P(HO)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278337.  https://www.osti.gov/servlets/purl/1278337. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1278337,

  title        = {Materials Data on P(HO)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H3PO3 is alpha Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight phosphorous acid molecules.},

  doi          = {10.17188/1278337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278337

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Materials Data on P(HO)3 by Materials Project

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H3PO3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H+0.33+ and three O2- atoms. The P–H bond length is 1.40 Å. There is one shorter (1.52 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H+0.33+ and three O2- atoms. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There aremore »« less
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H3PO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of six phosphorous acid molecules and one H3PO3 ribbon oriented in the (0, 1, 0) direction. In the H3PO3 ribbon, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.62–1.66 Å. There are three inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry tomore »« less
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