Materials Data on NaRuO2 by Materials Project

doi:10.17188/1287612

Title: Materials Data on NaRuO2 by Materials Project

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Abstract

NaRuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RuO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.39 Å. Ru3+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ru–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ru3+ atoms to form a mixture of corner and edge-sharing ONa3Ru3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-7240

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; NaRuO2; Na-O-Ru

OSTI Identifier:: 1287612

DOI:: https://doi.org/10.17188/1287612

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                    The Materials Project. Materials Data on NaRuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287612.

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                    The Materials Project. Materials Data on NaRuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287612

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                    The Materials Project. 2020.  
"Materials Data on NaRuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287612.  https://www.osti.gov/servlets/purl/1287612. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1287612,

  title        = {Materials Data on NaRuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaRuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RuO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.39 Å. Ru3+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ru–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ru3+ atoms to form a mixture of corner and edge-sharing ONa3Ru3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1287612},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287612

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