Materials Data on Mg2Co3O8 by Materials Project

doi:10.17188/1320410

Title: Materials Data on Mg2Co3O8 by Materials Project

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Abstract

Mg2Co3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.17 Å. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There is four shorter (1.86 Å) and two longer (1.91 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.82–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Co4+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two Co4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Co2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mvc-3029

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; Mg2Co3O8; Co-Mg-O

OSTI Identifier:: 1320410

DOI:: https://doi.org/10.17188/1320410

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                    The Materials Project. Materials Data on Mg2Co3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320410.

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                    The Materials Project. Materials Data on Mg2Co3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320410

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                    The Materials Project. 2020.  
"Materials Data on Mg2Co3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320410.  https://www.osti.gov/servlets/purl/1320410. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1320410,

  title        = {Materials Data on Mg2Co3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Co3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.17 Å. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There is four shorter (1.86 Å) and two longer (1.91 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.82–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Co4+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two Co4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Co2 trigonal pyramids.},

  doi          = {10.17188/1320410},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1320410

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