Materials Data on ZrPbF6 by Materials Project

doi:10.17188/1287670

Title: Materials Data on ZrPbF6 by Materials Project

Abstract

PbZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Pb2+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-7310

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; ZrPbF6; F-Pb-Zr

OSTI Identifier:: 1287670

DOI:: https://doi.org/10.17188/1287670

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                    The Materials Project. Materials Data on ZrPbF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287670.

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                    The Materials Project. Materials Data on ZrPbF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287670

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                    The Materials Project. 2020.  
"Materials Data on ZrPbF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287670.  https://www.osti.gov/servlets/purl/1287670. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1287670,

  title        = {Materials Data on ZrPbF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Pb2+ atom.},

  doi          = {10.17188/1287670},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287670

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Works referencing / citing this record:

Existence of semi-Dirac cones and symmetry of two-dimensional materials
journal, March 2017

Damljanović, V.; Gajić, R.
Journal of Physics: Condensed Matter, Vol. 29, Issue 18
https://doi.org/10.1088/1361-648x/aa6489

Existence of semi-Dirac cones and symmetry of two-dimensional materials
journal, March 2017

Damljanović, V.; Gajić, R.
Journal of Physics: Condensed Matter, Vol. 29, Issue 18
https://doi.org/10.1088/1361-648x/aa6489

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Title: Materials Data on ZrPbF6 by Materials Project

Abstract

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