Materials Data on IF7 by Materials Project

doi:10.17188/1284118

Title: Materials Data on IF7 by Materials Project

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Abstract

IF7 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one fluorine molecule, one IF5 cluster, and one IF7 cluster. In the IF5 cluster, I is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of I–F bond distances ranging from 1.86–1.98 Å. There are five 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. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the IF7 cluster, I is bonded in a 5-coordinate geometry to six F atoms. There are a spread of I–F bond distances ranging from 1.87–2.56 Å. There are seven 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-bondmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-685157

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; IF7; F-I

OSTI Identifier:: 1284118

DOI:: https://doi.org/10.17188/1284118

Citation Formats


                    The Materials Project. Materials Data on IF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284118.

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                    The Materials Project. Materials Data on IF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284118

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                    The Materials Project. 2020.  
"Materials Data on IF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284118.  https://www.osti.gov/servlets/purl/1284118. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1284118,

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

  author       = {The Materials Project},

  abstractNote = {IF7 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one fluorine molecule, one IF5 cluster, and one IF7 cluster. In the IF5 cluster, I is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of I–F bond distances ranging from 1.86–1.98 Å. There are five 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. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the IF7 cluster, I is bonded in a 5-coordinate geometry to six F atoms. There are a spread of I–F bond distances ranging from 1.87–2.56 Å. There are seven 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 F atom. The F–F bond length is 1.54 Å. In the fourth F site, F is bonded in a bent 150 degrees geometry to one I and one F atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the sixth F site, F is bonded in a single-bond geometry to one I atom. In the seventh F site, F is bonded in a single-bond geometry to one I atom.},

  doi          = {10.17188/1284118},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1284118

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