Materials Data on Zr3Pb(O2F3)2 by Materials Project

doi:10.17188/1264950

Title: Materials Data on Zr3Pb(O2F3)2 by Materials Project

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Abstract

Zr3Pb(O2F3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. All Zr–O bond lengths are 2.17 Å. All Zr–F bond lengths are 2.21 Å. Pb2+ is bonded in a distorted tetrahedral geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Zr4+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OZr3Pb tetrahedra. F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-541097

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; Zr3Pb(O2F3)2; F-O-Pb-Zr

OSTI Identifier:: 1264950

DOI:: https://doi.org/10.17188/1264950

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                    The Materials Project. Materials Data on Zr3Pb(O2F3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264950.

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                    The Materials Project. Materials Data on Zr3Pb(O2F3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264950

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                    The Materials Project. 2020.  
"Materials Data on Zr3Pb(O2F3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264950.  https://www.osti.gov/servlets/purl/1264950. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1264950,

  title        = {Materials Data on Zr3Pb(O2F3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3Pb(O2F3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. All Zr–O bond lengths are 2.17 Å. All Zr–F bond lengths are 2.21 Å. Pb2+ is bonded in a distorted tetrahedral geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Zr4+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OZr3Pb tetrahedra. F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.},

  doi          = {10.17188/1264950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264950

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