Materials Data on LaMgAl7Fe2 by Materials Project

doi:10.17188/1721911

Title: Materials Data on LaMgAl7Fe2 by Materials Project

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Abstract

MgLaFe2Al7 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mg is bonded in a 1-coordinate geometry to three Fe and ten Al atoms. There are a spread of Mg–Fe bond distances ranging from 2.62–2.69 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.17 Å. La is bonded in a 10-coordinate geometry to thirteen Al atoms. There are a spread of La–Al bond distances ranging from 3.22–3.46 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to one Mg and eight Al atoms. There are a spread of Fe–Al bond distances ranging from 2.32–2.55 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to two equivalent Mg and seven Al atoms. There are a spread of Fe–Al bond distances ranging from 2.35–2.60 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Mg, two equivalent La, two equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.90 Å. In the second Al site, Al is bonded to four equivalent Mg, four equivalentmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1195406

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; LaMgAl7Fe2; Al-Fe-La-Mg

OSTI Identifier:: 1721911

DOI:: https://doi.org/10.17188/1721911

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                    The Materials Project. Materials Data on LaMgAl7Fe2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1721911.

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                    The Materials Project. Materials Data on LaMgAl7Fe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721911

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                    The Materials Project. 2019.  
"Materials Data on LaMgAl7Fe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721911.  https://www.osti.gov/servlets/purl/1721911. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1721911,

  title        = {Materials Data on LaMgAl7Fe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgLaFe2Al7 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mg is bonded in a 1-coordinate geometry to three Fe and ten Al atoms. There are a spread of Mg–Fe bond distances ranging from 2.62–2.69 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.17 Å. La is bonded in a 10-coordinate geometry to thirteen Al atoms. There are a spread of La–Al bond distances ranging from 3.22–3.46 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to one Mg and eight Al atoms. There are a spread of Fe–Al bond distances ranging from 2.32–2.55 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to two equivalent Mg and seven Al atoms. There are a spread of Fe–Al bond distances ranging from 2.35–2.60 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Mg, two equivalent La, two equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.90 Å. In the second Al site, Al is bonded to four equivalent Mg, four equivalent Fe, and four Al atoms to form distorted face-sharing AlMg4Al4Fe4 cuboctahedra. Both Al–Al bond lengths are 2.67 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mg, two equivalent La, two equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–3.10 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent La, two equivalent Fe, and eight Al atoms. All Al–Al bond lengths are 2.80 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Fe, and eight Al atoms. There are one shorter (2.70 Å) and two longer (2.82 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mg, two equivalent La, two equivalent Fe, and five Al atoms. Both Al–Al bond lengths are 2.82 Å. In the seventh Al site, Al is bonded in a distorted linear geometry to two equivalent La, two Fe, and six Al atoms. In the eighth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mg, two equivalent La, two equivalent Fe, and three Al atoms.},

  doi          = {10.17188/1721911},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1721911

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