Materials Data on NaVO3 by Materials Project

doi:10.17188/1475604

Title: Materials Data on NaVO3 by Materials Project

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Abstract

NaVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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 NaO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Na–O bond lengths are 2.67 Å. V5+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent V5+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-1099591

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; NaVO3; Na-O-V

OSTI Identifier:: 1475604

DOI:: https://doi.org/10.17188/1475604

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                    The Materials Project. Materials Data on NaVO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1475604.

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                    The Materials Project. Materials Data on NaVO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1475604

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                    The Materials Project. 2020.  
"Materials Data on NaVO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1475604.  https://www.osti.gov/servlets/purl/1475604. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1475604,

  title        = {Materials Data on NaVO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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 NaO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Na–O bond lengths are 2.67 Å. V5+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent V5+ atoms.},

  doi          = {10.17188/1475604},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1475604

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