Materials Data on MgIrO3 by Materials Project

doi:10.17188/1349457

Title: Materials Data on MgIrO3 by Materials Project

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Abstract

MgIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Mg–O bond lengths are 2.77 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ir4+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1016826

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; MgIrO3; Ir-Mg-O

OSTI Identifier:: 1349457

DOI:: https://doi.org/10.17188/1349457

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                    The Materials Project. Materials Data on MgIrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349457.

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                    The Materials Project. Materials Data on MgIrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349457

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                    The Materials Project. 2020.  
"Materials Data on MgIrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349457.  https://www.osti.gov/servlets/purl/1349457. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1349457,

  title        = {Materials Data on MgIrO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Mg–O bond lengths are 2.77 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ir4+ atoms.},

  doi          = {10.17188/1349457},

  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/10.17188/1349457

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