Materials Data on SrIrO3 by Materials Project

doi:10.17188/1349473

Title: Materials Data on SrIrO3 by Materials Project

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Abstract

SrIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Sr–O bond lengths are 2.83 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 SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ir4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:: 2020-07-17

Other Number(s):: mp-1016848

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; crystal structure; Ir-O-Sr; SrIrO3

OSTI Identifier:: 1349473

DOI:: https://doi.org/10.17188/1349473

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                    Materials Data on SrIrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349473.

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                    Materials Data on SrIrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349473

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                    2020.  
"Materials Data on SrIrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349473.  https://www.osti.gov/servlets/purl/1349473. Pub date:Fri Jul 17 20:00:00 EDT 2020

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@article{osti_1349473,

  title        = {Materials Data on SrIrO3 by Materials Project},

  
  abstractNote = {SrIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Sr–O bond lengths are 2.83 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 SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ir4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1349473},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349473

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