Materials Data on MgCo2 by Materials Project

doi:10.17188/1310240

Title: Materials Data on MgCo2 by Materials Project

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Abstract

MgCo2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Mg–Co bond distances ranging from 2.81–2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mg and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoMg6Co6 cuboctahedra. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded to six equivalent Mg and six Co atoms to form a mixture of corner, edge, and face-sharing CoMg6Co6 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.47 Å) Co–Co bond lengths.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-864931

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; MgCo2; Co-Mg

OSTI Identifier:: 1310240

DOI:: https://doi.org/10.17188/1310240

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                    The Materials Project. Materials Data on MgCo2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1310240.

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                    The Materials Project. Materials Data on MgCo2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1310240

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                    The Materials Project. 2020.  
"Materials Data on MgCo2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1310240.  https://www.osti.gov/servlets/purl/1310240. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1310240,

  title        = {Materials Data on MgCo2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCo2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Mg–Co bond distances ranging from 2.81–2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mg and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoMg6Co6 cuboctahedra. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded to six equivalent Mg and six Co atoms to form a mixture of corner, edge, and face-sharing CoMg6Co6 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.47 Å) Co–Co bond lengths.},

  doi          = {10.17188/1310240},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1310240

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