Materials Data on Ir(Cl2F3)2 by Materials Project

doi:10.17188/1204308

Title: Materials Data on Ir(Cl2F3)2 by Materials Project

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Abstract

IrF6(Cl2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules and two IrF6 clusters. In each IrF6 cluster, Ir is bonded in an octahedral geometry to six F atoms. There is four shorter (1.89 Å) and two longer (1.90 Å) Ir–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Ir atom. In the third F site, F is bonded in a single-bond geometry to one Ir atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-29870

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; Ir(Cl2F3)2; Cl-F-Ir

OSTI Identifier:: 1204308

DOI:: https://doi.org/10.17188/1204308

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                    The Materials Project. Materials Data on Ir(Cl2F3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204308.

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                    The Materials Project. Materials Data on Ir(Cl2F3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204308

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                    The Materials Project. 2020.  
"Materials Data on Ir(Cl2F3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204308.  https://www.osti.gov/servlets/purl/1204308. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1204308,

  title        = {Materials Data on Ir(Cl2F3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IrF6(Cl2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules and two IrF6 clusters. In each IrF6 cluster, Ir is bonded in an octahedral geometry to six F atoms. There is four shorter (1.89 Å) and two longer (1.90 Å) Ir–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Ir atom. In the third F site, F is bonded in a single-bond geometry to one Ir atom.},

  doi          = {10.17188/1204308},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204308

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