Materials Data on Sr2CrOsO6 by Materials Project

doi:10.17188/1686571

Title: Materials Data on Sr2CrOsO6 by Materials Project

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Abstract

Sr2CrOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3 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, faces with four equivalent CrO6 octahedra, and faces with four equivalent OsO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.73–2.88 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Cr–O bond lengths are 2.00 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Os–O bond lengths are 1.97 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Cr3+, and one Os5+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1078354

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; Sr2CrOsO6; Cr-O-Os-Sr

OSTI Identifier:: 1686571

DOI:: https://doi.org/10.17188/1686571

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                    The Materials Project. Materials Data on Sr2CrOsO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686571.

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                    The Materials Project. Materials Data on Sr2CrOsO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686571

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                    The Materials Project. 2020.  
"Materials Data on Sr2CrOsO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686571.  https://www.osti.gov/servlets/purl/1686571. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1686571,

  title        = {Materials Data on Sr2CrOsO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CrOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3 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, faces with four equivalent CrO6 octahedra, and faces with four equivalent OsO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.73–2.88 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Cr–O bond lengths are 2.00 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Os–O bond lengths are 1.97 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Cr3+, and one Os5+ atom.},

  doi          = {10.17188/1686571},

  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/10.17188/1686571

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