Materials Data on Mg13Al14 by Materials Project

doi:10.17188/1189175

Title: Materials Data on Mg13Al14 by Materials Project

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Abstract

Mg13Al14 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to fourteen Al atoms. There are eight shorter (3.02 Å) and six longer (3.06 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Al atoms. All Mg–Al bond lengths are 3.04 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted body-centered cubic geometry to four Mg and four Al atoms. There are three shorter (2.79 Å) and one longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted q6 geometry to five Mg and four equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-12766

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; Mg13Al14; Al-Mg

OSTI Identifier:: 1189175

DOI:: https://doi.org/10.17188/1189175

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                    The Materials Project. Materials Data on Mg13Al14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189175.

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                    The Materials Project. Materials Data on Mg13Al14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189175

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                    The Materials Project. 2020.  
"Materials Data on Mg13Al14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189175.  https://www.osti.gov/servlets/purl/1189175. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1189175,

  title        = {Materials Data on Mg13Al14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg13Al14 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to fourteen Al atoms. There are eight shorter (3.02 Å) and six longer (3.06 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Al atoms. All Mg–Al bond lengths are 3.04 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted body-centered cubic geometry to four Mg and four Al atoms. There are three shorter (2.79 Å) and one longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted q6 geometry to five Mg and four equivalent Al atoms.},

  doi          = {10.17188/1189175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189175

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