Materials Data on NaV2O4 by Materials Project

doi:10.17188/1302065

Title: Materials Data on NaV2O4 by Materials Project

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Abstract

NaV2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with twelve equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 58–63°. All Na–O bond lengths are 2.18 Å. V+3.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent NaO4 tetrahedra and edges with six equivalent VO6 octahedra. There are four shorter (2.00 Å) and two longer (2.08 Å) V–O bond lengths. O2- is bonded to one Na1+ and three equivalent V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONaV3 tetrahedra.

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-773628

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; NaV2O4; Na-O-V

OSTI Identifier:: 1302065

DOI:: https://doi.org/10.17188/1302065

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                    The Materials Project. Materials Data on NaV2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1302065.

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                    The Materials Project. Materials Data on NaV2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1302065

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                    The Materials Project. 2020.  
"Materials Data on NaV2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1302065.  https://www.osti.gov/servlets/purl/1302065. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1302065,

  title        = {Materials Data on NaV2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaV2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with twelve equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 58–63°. All Na–O bond lengths are 2.18 Å. V+3.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent NaO4 tetrahedra and edges with six equivalent VO6 octahedra. There are four shorter (2.00 Å) and two longer (2.08 Å) V–O bond lengths. O2- is bonded to one Na1+ and three equivalent V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONaV3 tetrahedra.},

  doi          = {10.17188/1302065},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1302065

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Materials Data on NaV2O4 by Materials Project

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