Materials Data on NaLa(RuO3)2 by Materials Project

doi:10.17188/1721926

Title: Materials Data on NaLa(RuO3)2 by Materials Project

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Abstract

NaLa(RuO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Na–O bond lengths are 2.79 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All La–O bond lengths are 2.79 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra, faces with four equivalent NaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.97 Å. O2- is bonded to two equivalent Na1+, two equivalent La3+, and two equivalent Ru4+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2La2Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1220759

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; NaLa(RuO3)2; La-Na-O-Ru

OSTI Identifier:: 1721926

DOI:: https://doi.org/10.17188/1721926

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                    The Materials Project. Materials Data on NaLa(RuO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721926.

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                    The Materials Project. Materials Data on NaLa(RuO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721926

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                    The Materials Project. 2020.  
"Materials Data on NaLa(RuO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721926.  https://www.osti.gov/servlets/purl/1721926. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721926,

  title        = {Materials Data on NaLa(RuO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaLa(RuO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Na–O bond lengths are 2.79 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All La–O bond lengths are 2.79 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra, faces with four equivalent NaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.97 Å. O2- is bonded to two equivalent Na1+, two equivalent La3+, and two equivalent Ru4+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2La2Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1721926},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721926

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