Materials Data on MgAl2 by Materials Project

doi:10.17188/1692863

Title: Materials Data on MgAl2 by Materials Project

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Abstract

MgAl2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Al atoms to form MgMg6Al6 cuboctahedra that share corners with six equivalent MgMg6Al6 cuboctahedra, corners with six equivalent AlMg3Al9 cuboctahedra, edges with six equivalent MgMg6Al6 cuboctahedra, edges with eighteen equivalent AlMg3Al9 cuboctahedra, faces with six equivalent MgMg6Al6 cuboctahedra, and faces with twelve equivalent AlMg3Al9 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Al bond lengths are 3.00 Å. Al is bonded to three equivalent Mg and nine equivalent Al atoms to form distorted AlMg3Al9 cuboctahedra that share corners with three equivalent MgMg6Al6 cuboctahedra, corners with nine equivalent AlMg3Al9 cuboctahedra, edges with nine equivalent MgMg6Al6 cuboctahedra, edges with fifteen equivalent AlMg3Al9 cuboctahedra, faces with six equivalent MgMg6Al6 cuboctahedra, and faces with twelve equivalent AlMg3Al9 cuboctahedra. There are three shorter (2.78 Å) and six longer (3.03 Å) Al–Al bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1222013

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; MgAl2; Al-Mg

OSTI Identifier:: 1692863

DOI:: https://doi.org/10.17188/1692863

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                    The Materials Project. Materials Data on MgAl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1692863.

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                    The Materials Project. Materials Data on MgAl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1692863

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                    The Materials Project. 2020.  
"Materials Data on MgAl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1692863.  https://www.osti.gov/servlets/purl/1692863. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1692863,

  title        = {Materials Data on MgAl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgAl2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Al atoms to form MgMg6Al6 cuboctahedra that share corners with six equivalent MgMg6Al6 cuboctahedra, corners with six equivalent AlMg3Al9 cuboctahedra, edges with six equivalent MgMg6Al6 cuboctahedra, edges with eighteen equivalent AlMg3Al9 cuboctahedra, faces with six equivalent MgMg6Al6 cuboctahedra, and faces with twelve equivalent AlMg3Al9 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Al bond lengths are 3.00 Å. Al is bonded to three equivalent Mg and nine equivalent Al atoms to form distorted AlMg3Al9 cuboctahedra that share corners with three equivalent MgMg6Al6 cuboctahedra, corners with nine equivalent AlMg3Al9 cuboctahedra, edges with nine equivalent MgMg6Al6 cuboctahedra, edges with fifteen equivalent AlMg3Al9 cuboctahedra, faces with six equivalent MgMg6Al6 cuboctahedra, and faces with twelve equivalent AlMg3Al9 cuboctahedra. There are three shorter (2.78 Å) and six longer (3.03 Å) Al–Al bond lengths.},

  doi          = {10.17188/1692863},

  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/10.17188/1692863

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