Materials Data on LaMg6Al by Materials Project

doi:10.17188/1651989

Title: Materials Data on LaMg6Al by Materials Project

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Abstract

Mg6LaAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to eight Mg, two equivalent La, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.49 Å. There are one shorter (3.56 Å) and one longer (3.79 Å) Mg–La bond lengths. The Mg–Al bond length is 3.05 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to six Mg, two equivalent La, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.25 Å. Both Mg–La bond lengths are 3.33 Å. Both Mg–Al bond lengths are 3.00 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg and two equivalent Al atoms. Both Mg–Mg bond lengths are 3.23 Å. Both Mg–Al bond lengths are 3.22 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. Both Mg–La bond lengths are 3.31 Å. La is bonded in a 12-coordinate geometry to ten Mg and two equivalent Al atoms. Both La–Almore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1023325

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; LaMg6Al; Al-La-Mg

OSTI Identifier:: 1651989

DOI:: https://doi.org/10.17188/1651989

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                    The Materials Project. Materials Data on LaMg6Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651989.

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                    The Materials Project. Materials Data on LaMg6Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1651989

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                    The Materials Project. 2020.  
"Materials Data on LaMg6Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1651989.  https://www.osti.gov/servlets/purl/1651989. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1651989,

  title        = {Materials Data on LaMg6Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6LaAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to eight Mg, two equivalent La, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 2.98–3.49 Å. There are one shorter (3.56 Å) and one longer (3.79 Å) Mg–La bond lengths. The Mg–Al bond length is 3.05 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to six Mg, two equivalent La, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.25 Å. Both Mg–La bond lengths are 3.33 Å. Both Mg–Al bond lengths are 3.00 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg and two equivalent Al atoms. Both Mg–Mg bond lengths are 3.23 Å. Both Mg–Al bond lengths are 3.22 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. Both Mg–La bond lengths are 3.31 Å. La is bonded in a 12-coordinate geometry to ten Mg and two equivalent Al atoms. Both La–Al bond lengths are 3.19 Å. Al is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms.},

  doi          = {10.17188/1651989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1651989

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