Materials Data on P2IrClF6 by Materials Project

doi:10.17188/1270714

Title: Materials Data on P2IrClF6 by Materials Project

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Abstract

IrCl(PF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen phosphorus trifluoride molecules and four IrCl clusters. In each IrCl cluster, there are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.43 Å. In the second Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.42 Å. Cl1- is bonded in a 2-coordinate geometry to two Ir5+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-559182

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; P2IrClF6; Cl-F-Ir-P

OSTI Identifier:: 1270714

DOI:: https://doi.org/10.17188/1270714

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                    The Materials Project. Materials Data on P2IrClF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270714.

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                    The Materials Project. Materials Data on P2IrClF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270714

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                    The Materials Project. 2020.  
"Materials Data on P2IrClF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270714.  https://www.osti.gov/servlets/purl/1270714. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1270714,

  title        = {Materials Data on P2IrClF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {IrCl(PF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen phosphorus trifluoride molecules and four IrCl clusters. In each IrCl cluster, there are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.43 Å. In the second Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.42 Å. Cl1- is bonded in a 2-coordinate geometry to two Ir5+ atoms.},

  doi          = {10.17188/1270714},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270714

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