Materials Data on Co3O4 by Materials Project

doi:10.17188/1193429

Title: Materials Data on Co3O4 by Materials Project

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Abstract

Co3O4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Co–O bond lengths are 1.93 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to four equivalent O2- atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–O bond lengths are 1.96 Å. O2- is bonded to four Co+2.67+ atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-18748

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; Co3O4; Co-O

OSTI Identifier:: 1193429

DOI:: https://doi.org/10.17188/1193429

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                    The Materials Project. Materials Data on Co3O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193429.

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                    The Materials Project. Materials Data on Co3O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193429

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                    The Materials Project. 2020.  
"Materials Data on Co3O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193429.  https://www.osti.gov/servlets/purl/1193429. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193429,

  title        = {Materials Data on Co3O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co3O4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Co–O bond lengths are 1.93 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to four equivalent O2- atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–O bond lengths are 1.96 Å. O2- is bonded to four Co+2.67+ atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids.},

  doi          = {10.17188/1193429},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193429

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