Materials Data on P2PbO8 by Materials Project

doi:10.17188/1753216

Title: Materials Data on P2PbO8 by Materials Project

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Abstract

PbP2O8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one PbP2O8 sheet oriented in the (0, -1, 1) direction. Pb is bonded to six O atoms to form PbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.14–2.22 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent PbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–45°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent PbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.52–1.68 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Pb and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1179986

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:: 1753216

DOI:: https://doi.org/10.17188/1753216

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                    The Materials Project. Materials Data on P2PbO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753216.

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                    The Materials Project. Materials Data on P2PbO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753216

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                    The Materials Project. 2020.  
"Materials Data on P2PbO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753216.  https://www.osti.gov/servlets/purl/1753216. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1753216,

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

  author       = {The Materials Project},

  abstractNote = {PbP2O8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one PbP2O8 sheet oriented in the (0, -1, 1) direction. Pb is bonded to six O atoms to form PbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.14–2.22 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent PbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–45°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent PbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.52–1.68 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Pb and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Pb and 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 distorted bent 150 degrees geometry to one Pb and one P atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Pb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one P atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom.},

  doi          = {10.17188/1753216},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1753216

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