Materials Data on IF7 by Materials Project

doi:10.17188/1672402

Title: Materials Data on IF7 by Materials Project

Dataset
Other Related Research

Abstract

IF7 is Indium structured and crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four IF7 clusters. I is bonded in a pentagonal bipyramidal geometry to seven F atoms. There are a spread of I–F bond distances ranging from 1.86–1.91 Å. There are four 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. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1184928

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; IF7; crystal structure

OSTI Identifier:: 1672402

DOI:: https://doi.org/10.17188/1672402

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                    Materials Data on IF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672402.

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                    Materials Data on IF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672402

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                    2020.  
"Materials Data on IF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672402.  https://www.osti.gov/servlets/purl/1672402. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1672402,

  title        = {Materials Data on IF7 by Materials Project},

  
  abstractNote = {IF7 is Indium structured and crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four IF7 clusters. I is bonded in a pentagonal bipyramidal geometry to seven F atoms. There are a spread of I–F bond distances ranging from 1.86–1.91 Å. There are four 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. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom.},

  doi          = {10.17188/1672402},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672402

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Materials Data on IF7 by Materials Project

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IF7 is Indium structured and crystallizes in the orthorhombic Aea2 space group. The structure is zero-dimensional and consists of four IF7 clusters. I is bonded in a pentagonal bipyramidal geometry to seven F atoms. There is two shorter (1.85 Å) and five longer (1.90 Å) I–F bond length. There are four 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. In the third F site, F is bonded in a single-bond geometry to onemore »« less
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