Materials Data on Er4MgCo by Materials Project

doi:10.17188/1692759

Title: Materials Data on Er4MgCo by Materials Project

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Abstract

MgEr4Co crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Er atoms to form a mixture of corner and face-sharing MgEr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are a spread of Mg–Er bond distances ranging from 3.23–3.47 Å. There are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Er, and three equivalent Co atoms. All Er–Er bond lengths are 3.42 Å. All Er–Co bond lengths are 2.74 Å. In the second Er site, Er is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Er, and two equivalent Co atoms. All Er–Er bond lengths are 3.55 Å. Both Er–Co bond lengths are 2.73 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Mg, ten Er, and two equivalent Co atoms. All Er–Er bond lengths are 3.55 Å. Both Er–Co bond lengths are 3.41 Å. Co is bonded in a 6-coordinate geometry to nine Er atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1212959

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; Er4MgCo; Co-Er-Mg

OSTI Identifier:: 1692759

DOI:: https://doi.org/10.17188/1692759

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                    The Materials Project. Materials Data on Er4MgCo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1692759.

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                    The Materials Project. Materials Data on Er4MgCo by Materials Project.  United States.  doi:https://doi.org/10.17188/1692759

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                    The Materials Project. 2020.  
"Materials Data on Er4MgCo by Materials Project".  United States.  doi:https://doi.org/10.17188/1692759.  https://www.osti.gov/servlets/purl/1692759. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1692759,

  title        = {Materials Data on Er4MgCo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgEr4Co crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Er atoms to form a mixture of corner and face-sharing MgEr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are a spread of Mg–Er bond distances ranging from 3.23–3.47 Å. There are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Er, and three equivalent Co atoms. All Er–Er bond lengths are 3.42 Å. All Er–Co bond lengths are 2.74 Å. In the second Er site, Er is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Er, and two equivalent Co atoms. All Er–Er bond lengths are 3.55 Å. Both Er–Co bond lengths are 2.73 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Mg, ten Er, and two equivalent Co atoms. All Er–Er bond lengths are 3.55 Å. Both Er–Co bond lengths are 3.41 Å. Co is bonded in a 6-coordinate geometry to nine Er atoms.},

  doi          = {10.17188/1692759},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1692759

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