Materials Data on Zr3InF15 by Materials Project

doi:10.17188/1206759

Title: Materials Data on Zr3InF15 by Materials Project

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Abstract

Zr3InF15 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.12–2.15 Å. In3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All In–F bond lengths are 2.11 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one In3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-34291

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; Zr3InF15; F-In-Zr

OSTI Identifier:: 1206759

DOI:: https://doi.org/10.17188/1206759

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                    The Materials Project. Materials Data on Zr3InF15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206759.

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                    The Materials Project. Materials Data on Zr3InF15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206759

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                    The Materials Project. 2020.  
"Materials Data on Zr3InF15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206759.  https://www.osti.gov/servlets/purl/1206759. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1206759,

  title        = {Materials Data on Zr3InF15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3InF15 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.12–2.15 Å. In3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All In–F bond lengths are 2.11 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one In3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.},

  doi          = {10.17188/1206759},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206759

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