Materials Data on Mg3Al by Materials Project

doi:10.17188/1739473

Title: Materials Data on Mg3Al by Materials Project

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Abstract

AlMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent MgMg8Al4 cuboctahedra, corners with eight equivalent AlMg12 cuboctahedra, edges with twenty-four MgMg8Al4 cuboctahedra, faces with six equivalent AlMg12 cuboctahedra, and faces with twelve MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with fourteen MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. Al is bonded to twelve Mg atoms to form AlMg12 cuboctahedra that share corners with four equivalent AlMg12 cuboctahedra, corners with eight equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces withmore » fourteen MgMg8Al4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1094961

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; Mg3Al; Al-Mg

OSTI Identifier:: 1739473

DOI:: https://doi.org/10.17188/1739473

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                    The Materials Project. Materials Data on Mg3Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739473.

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                    The Materials Project. Materials Data on Mg3Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1739473

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                    The Materials Project. 2020.  
"Materials Data on Mg3Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1739473.  https://www.osti.gov/servlets/purl/1739473. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1739473,

  title        = {Materials Data on Mg3Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent MgMg8Al4 cuboctahedra, corners with eight equivalent AlMg12 cuboctahedra, edges with twenty-four MgMg8Al4 cuboctahedra, faces with six equivalent AlMg12 cuboctahedra, and faces with twelve MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with fourteen MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. Al is bonded to twelve Mg atoms to form AlMg12 cuboctahedra that share corners with four equivalent AlMg12 cuboctahedra, corners with eight equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with fourteen MgMg8Al4 cuboctahedra.},

  doi          = {10.17188/1739473},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1739473

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