Materials Data on P2H4PbO4 by Materials Project

doi:10.17188/1200021

Title: Materials Data on P2H4PbO4 by Materials Project

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Abstract

Pb(H2PO2)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Pb(H2PO2)2 sheets oriented in the (1, 0, 0) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.68–2.72 Å. P1+ is bonded in a distorted tetrahedral geometry to two H1+ and two O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one P1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one P1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-24298

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; P2H4PbO4; H-O-P-Pb

OSTI Identifier:: 1200021

DOI:: https://doi.org/10.17188/1200021

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                    The Materials Project. Materials Data on P2H4PbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200021.

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                    The Materials Project. Materials Data on P2H4PbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200021

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                    The Materials Project. 2020.  
"Materials Data on P2H4PbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200021.  https://www.osti.gov/servlets/purl/1200021. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1200021,

  title        = {Materials Data on P2H4PbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb(H2PO2)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Pb(H2PO2)2 sheets oriented in the (1, 0, 0) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.68–2.72 Å. P1+ is bonded in a distorted tetrahedral geometry to two H1+ and two O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one P1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one P1+ atom.},

  doi          = {10.17188/1200021},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200021

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