Materials Data on P2PbO8 by Materials Project

doi:10.17188/1652298

Title: Materials Data on P2PbO8 by Materials Project

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Abstract

Pb(PO3)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Pb(PO3)2 framework. In the Pb(PO3)2 framework, Pb is bonded in a 4-coordinate geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom. In the fifth Omore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1200154

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; P2PbO8; O-P-Pb

OSTI Identifier:: 1652298

DOI:: https://doi.org/10.17188/1652298

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                    The Materials Project. Materials Data on P2PbO8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652298.

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                    The Materials Project. Materials Data on P2PbO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652298

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                    The Materials Project. 2019.  
"Materials Data on P2PbO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652298.  https://www.osti.gov/servlets/purl/1652298. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1652298,

  title        = {Materials Data on P2PbO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb(PO3)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Pb(PO3)2 framework. In the Pb(PO3)2 framework, Pb is bonded in a 4-coordinate geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two P atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom.},

  doi          = {10.17188/1652298},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1652298

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