Materials Data on Na3CoO3 by Materials Project

doi:10.17188/1751477

Title: Materials Data on Na3CoO3 by Materials Project

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Abstract

Na3CoO3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Na1+ is bonded to five equivalent O2- atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.37–2.50 Å. Co3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Co–O bond lengths are 1.79 Å. O2- is bonded to five equivalent Na1+ and one Co3+ atom to form a mixture of distorted corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles are 17°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1176353

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; Na3CoO3; Co-Na-O

OSTI Identifier:: 1751477

DOI:: https://doi.org/10.17188/1751477

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                    The Materials Project. Materials Data on Na3CoO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751477.

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                    The Materials Project. Materials Data on Na3CoO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751477

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                    The Materials Project. 2020.  
"Materials Data on Na3CoO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751477.  https://www.osti.gov/servlets/purl/1751477. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751477,

  title        = {Materials Data on Na3CoO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3CoO3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Na1+ is bonded to five equivalent O2- atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.37–2.50 Å. Co3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Co–O bond lengths are 1.79 Å. O2- is bonded to five equivalent Na1+ and one Co3+ atom to form a mixture of distorted corner and edge-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles are 17°.},

  doi          = {10.17188/1751477},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751477

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