Materials Data on Mg3(Al9V)2 by Materials Project

doi:10.17188/1664045

Title: Materials Data on Mg3(Al9V)2 by Materials Project

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Abstract

Mg3(VAl9)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and twelve equivalent Al atoms. Both Mg–Mg bond lengths are 3.16 Å. All Mg–Al bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Mg–Al bond lengths are 3.25 Å. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlMg3Al8V cuboctahedra, and faces with six equivalent AlMg3Al8V cuboctahedra. There are six shorter (2.59 Å) and six longer (2.80 Å) V–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one V, and eight Al atoms to form AlMg3Al8V cuboctahedra that share corners with fifteen equivalent AlMg3Al8V cuboctahedra, edges with two equivalent AlMg3Al8V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlMg3Al8V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.74–2.93 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1201511

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; Mg3(Al9V)2; Al-Mg-V

OSTI Identifier:: 1664045

DOI:: https://doi.org/10.17188/1664045

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                    The Materials Project. Materials Data on Mg3(Al9V)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664045.

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                    The Materials Project. Materials Data on Mg3(Al9V)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664045

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                    The Materials Project. 2020.  
"Materials Data on Mg3(Al9V)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664045.  https://www.osti.gov/servlets/purl/1664045. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1664045,

  title        = {Materials Data on Mg3(Al9V)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3(VAl9)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and twelve equivalent Al atoms. Both Mg–Mg bond lengths are 3.16 Å. All Mg–Al bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Mg–Al bond lengths are 3.25 Å. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlMg3Al8V cuboctahedra, and faces with six equivalent AlMg3Al8V cuboctahedra. There are six shorter (2.59 Å) and six longer (2.80 Å) V–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one V, and eight Al atoms to form AlMg3Al8V cuboctahedra that share corners with fifteen equivalent AlMg3Al8V cuboctahedra, edges with two equivalent AlMg3Al8V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlMg3Al8V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.74–2.93 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. All Al–Al bond lengths are 2.83 Å.},

  doi          = {10.17188/1664045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1664045

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