Materials Data on Zn(IrO2)2 by Materials Project

doi:10.17188/1746628

Title: Materials Data on Zn(IrO2)2 by Materials Project

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Abstract

ZnIr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent IrO6 octahedra. All Ir–O bond lengths are 2.10 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Ir3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OZnIr3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1094005

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; Zn(IrO2)2; Ir-O-Zn

OSTI Identifier:: 1746628

DOI:: https://doi.org/10.17188/1746628

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                    The Materials Project. Materials Data on Zn(IrO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746628.

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                    The Materials Project. Materials Data on Zn(IrO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746628

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                    The Materials Project. 2020.  
"Materials Data on Zn(IrO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746628.  https://www.osti.gov/servlets/purl/1746628. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1746628,

  title        = {Materials Data on Zn(IrO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnIr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent IrO6 octahedra. All Ir–O bond lengths are 2.10 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Ir3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OZnIr3 trigonal pyramids.},

  doi          = {10.17188/1746628},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746628

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