Materials Data on IrO3 by Materials Project

doi:10.17188/1666392

Title: Materials Data on IrO3 by Materials Project

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Abstract

IrO3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ir is bonded to six O atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–48°. There are a spread of Ir–O bond distances ranging from 1.91–1.95 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ir atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1097041

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; Ir-O; IrO3; crystal structure

OSTI Identifier:: 1666392

DOI:: https://doi.org/10.17188/1666392

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                    Materials Data on IrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666392.

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                    Materials Data on IrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666392

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                    2020.  
"Materials Data on IrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666392.  https://www.osti.gov/servlets/purl/1666392. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1666392,

  title        = {Materials Data on IrO3 by Materials Project},

  
  abstractNote = {IrO3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ir is bonded to six O atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–48°. There are a spread of Ir–O bond distances ranging from 1.91–1.95 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ir atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms.},

  doi          = {10.17188/1666392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1666392

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