Materials Data on KRuO3 by Materials Project

doi:10.17188/1314372

Title: Materials Data on KRuO3 by Materials Project

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Abstract

KRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All K–O bond lengths are 2.79 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.97 Å. O2- is bonded to four equivalent K1+ and two equivalent Ru5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-973958

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; KRuO3; K-O-Ru

OSTI Identifier:: 1314372

DOI:: https://doi.org/10.17188/1314372

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                    The Materials Project. Materials Data on KRuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314372.

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                    The Materials Project. Materials Data on KRuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314372

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                    The Materials Project. 2020.  
"Materials Data on KRuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314372.  https://www.osti.gov/servlets/purl/1314372. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1314372,

  title        = {Materials Data on KRuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All K–O bond lengths are 2.79 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.97 Å. O2- is bonded to four equivalent K1+ and two equivalent Ru5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1314372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314372

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