Materials Data on P3(PbO3)4 by Materials Project

doi:10.17188/1651955

Title: Materials Data on P3(PbO3)4 by Materials Project

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Abstract

Pb4(PO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pb+2.50+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent PO4 tetrahedra and edges with three equivalent PbO6 pentagonal pyramids. There are three shorter (2.42 Å) and three longer (2.69 Å) Pb–O bond lengths. P+4.67+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with eight equivalent PbO6 pentagonal pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Pb+2.50+ and one P+4.67+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-1209812

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-P-Pb; P3(PbO3)4; crystal structure

OSTI Identifier:: 1651955

DOI:: https://doi.org/10.17188/1651955

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                    Materials Data on P3(PbO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651955.

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                    Materials Data on P3(PbO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651955

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                    2020.  
"Materials Data on P3(PbO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651955.  https://www.osti.gov/servlets/purl/1651955. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1651955,

  title        = {Materials Data on P3(PbO3)4 by Materials Project},

  
  abstractNote = {Pb4(PO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pb+2.50+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent PO4 tetrahedra and edges with three equivalent PbO6 pentagonal pyramids. There are three shorter (2.42 Å) and three longer (2.69 Å) Pb–O bond lengths. P+4.67+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with eight equivalent PbO6 pentagonal pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Pb+2.50+ and one P+4.67+ atom.},

  doi          = {10.17188/1651955},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651955

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