Materials Data on ZrPd3F6 by Materials Project

doi:10.17188/1732543

Title: Materials Data on ZrPd3F6 by Materials Project

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Abstract

ZrPd3F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Zr is bonded in an octahedral geometry to six F atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.07 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.10 Å. In the second Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.11 Å. In the third Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.12 Å. There are three inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Zr and one Pd atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Zr and one Pd atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Zr and one Pd atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1207583

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; ZrPd3F6; F-Pd-Zr

OSTI Identifier:: 1732543

DOI:: https://doi.org/10.17188/1732543

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                    The Materials Project. Materials Data on ZrPd3F6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1732543.

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                    The Materials Project. Materials Data on ZrPd3F6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732543

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                    The Materials Project. 2019.  
"Materials Data on ZrPd3F6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732543.  https://www.osti.gov/servlets/purl/1732543. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1732543,

  title        = {Materials Data on ZrPd3F6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrPd3F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Zr is bonded in an octahedral geometry to six F atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.07 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.10 Å. In the second Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.11 Å. In the third Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.12 Å. There are three inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Zr and one Pd atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Zr and one Pd atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Zr and one Pd atom.},

  doi          = {10.17188/1732543},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1732543

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