Materials Data on ZrOsO3 by Materials Project

doi:10.17188/1313799

Title: Materials Data on ZrOsO3 by Materials Project

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Abstract

ZrOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to twelve equivalent O2- atoms to form ZrO12 cuboctahedra that share corners with twelve equivalent ZrO12 cuboctahedra, faces with six equivalent ZrO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Zr–O bond lengths are 2.78 Å. Os2+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent ZrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Zr4+ and two equivalent Os2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-972296

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; ZrOsO3; O-Os-Zr

OSTI Identifier:: 1313799

DOI:: https://doi.org/10.17188/1313799

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                    The Materials Project. Materials Data on ZrOsO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313799.

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                    The Materials Project. Materials Data on ZrOsO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313799

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                    The Materials Project. 2020.  
"Materials Data on ZrOsO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313799.  https://www.osti.gov/servlets/purl/1313799. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1313799,

  title        = {Materials Data on ZrOsO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to twelve equivalent O2- atoms to form ZrO12 cuboctahedra that share corners with twelve equivalent ZrO12 cuboctahedra, faces with six equivalent ZrO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Zr–O bond lengths are 2.78 Å. Os2+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent ZrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Zr4+ and two equivalent Os2+ atoms.},

  doi          = {10.17188/1313799},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313799

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