Materials Data on IF3 by Materials Project

doi:10.17188/1204296

Title: Materials Data on IF3 by Materials Project

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Abstract

IF3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four IF3 clusters. I is bonded in a T-shaped geometry to three F atoms. There is one shorter (1.91 Å) and two longer (2.02 Å) I–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-29848

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; F-I; IF3; crystal structure

OSTI Identifier:: 1204296

DOI:: https://doi.org/10.17188/1204296

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                    Materials Data on IF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204296.

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                    Materials Data on IF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204296

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                    2020.  
"Materials Data on IF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204296.  https://www.osti.gov/servlets/purl/1204296. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1204296,

  title        = {Materials Data on IF3 by Materials Project},

  
  abstractNote = {IF3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four IF3 clusters. I is bonded in a T-shaped geometry to three F atoms. There is one shorter (1.91 Å) and two longer (2.02 Å) I–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom.},

  doi          = {10.17188/1204296},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204296

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