Materials Data on Mg3Co by Materials Project

doi:10.17188/1315891

Title: Materials Data on Mg3Co by Materials Project

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Abstract

Mg3Co is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Mg and four equivalent Co atoms to form a mixture of distorted edge, face, and corner-sharing MgMg4Co4 tetrahedra. All Mg–Mg bond lengths are 2.82 Å. All Mg–Co bond lengths are 2.82 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Co atoms. All Mg–Co bond lengths are 3.25 Å. Co is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-978276

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; Mg3Co; Co-Mg

OSTI Identifier:: 1315891

DOI:: https://doi.org/10.17188/1315891

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                    The Materials Project. Materials Data on Mg3Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315891.

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                    The Materials Project. Materials Data on Mg3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1315891

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                    The Materials Project. 2020.  
"Materials Data on Mg3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1315891.  https://www.osti.gov/servlets/purl/1315891. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1315891,

  title        = {Materials Data on Mg3Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Co is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Mg and four equivalent Co atoms to form a mixture of distorted edge, face, and corner-sharing MgMg4Co4 tetrahedra. All Mg–Mg bond lengths are 2.82 Å. All Mg–Co bond lengths are 2.82 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Co atoms. All Mg–Co bond lengths are 3.25 Å. Co is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.},

  doi          = {10.17188/1315891},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1315891

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