Materials Data on CoO2 by Materials Project

doi:10.17188/1269516

Title: Materials Data on CoO2 by Materials Project

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Abstract

Lix0CoO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Lix0CoO2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. There is two shorter (1.79 Å) and four longer (2.04 Å) Co–O bond length. O2- is bonded in a 3-coordinate geometry to three equivalent Co4+ atoms.

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-556750

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Co-O; CoO2; crystal structure

OSTI Identifier:: 1269516

DOI:: https://doi.org/10.17188/1269516

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                    Materials Data on CoO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269516.

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                    Materials Data on CoO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269516

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                    2020.  
"Materials Data on CoO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269516.  https://www.osti.gov/servlets/purl/1269516. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1269516,

  title        = {Materials Data on CoO2 by Materials Project},

  
  abstractNote = {Lix0CoO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Lix0CoO2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. There is two shorter (1.79 Å) and four longer (2.04 Å) Co–O bond length. O2- is bonded in a 3-coordinate geometry to three equivalent Co4+ atoms.},

  doi          = {10.17188/1269516},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269516

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Materials Data on CoO2 by Materials Project

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Materials Data on CoO2 by Materials Project

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Lix0CoO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with three CoO4 tetrahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.79–1.98 Å. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with three CoO4 tetrahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.79–1.98 Å.more »« less

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