Materials Data on NaO2 by Materials Project

doi:10.17188/1193797

Title: Materials Data on NaO2 by Materials Project

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Abstract

NaO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, corners with six equivalent ONa3O tetrahedra, and edges with two equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 71°. All Na–O bond lengths are 2.42 Å. O is bonded to three equivalent Na and one O atom to form distorted ONa3O tetrahedra that share corners with three equivalent NaO6 octahedra, corners with thirteen equivalent ONa3O tetrahedra, and an edgeedge with one ONa3O tetrahedra. The corner-sharing octahedra tilt angles range from 58–69°. The O–O bond length is 1.35 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-1901

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; NaO2; Na-O

OSTI Identifier:: 1193797

DOI:: https://doi.org/10.17188/1193797

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                    The Materials Project. Materials Data on NaO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193797.

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                    The Materials Project. Materials Data on NaO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193797

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                    The Materials Project. 2020.  
"Materials Data on NaO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193797.  https://www.osti.gov/servlets/purl/1193797. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1193797,

  title        = {Materials Data on NaO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, corners with six equivalent ONa3O tetrahedra, and edges with two equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 71°. All Na–O bond lengths are 2.42 Å. O is bonded to three equivalent Na and one O atom to form distorted ONa3O tetrahedra that share corners with three equivalent NaO6 octahedra, corners with thirteen equivalent ONa3O tetrahedra, and an edgeedge with one ONa3O tetrahedra. The corner-sharing octahedra tilt angles range from 58–69°. The O–O bond length is 1.35 Å.},

  doi          = {10.17188/1193797},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193797

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