Materials Data on Eu(Al4Fe)2 by Materials Project

doi:10.17188/1262027

Title: Materials Data on Eu(Al4Fe)2 by Materials Project

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Abstract

Al8Fe2Eu crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Eu–Al bond distances ranging from 3.15–3.35 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.59 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.35–2.57 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.02 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms. All Al–Al bond lengths are 2.89 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Fe and four Al atoms. There are two shorter (2.64 Å) and two longer (2.65 Å)more »« less

Publication Date:: 2020-05-02

Other Number(s):: mp-504740

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Al-Eu-Fe; Eu(Al4Fe)2; crystal structure

OSTI Identifier:: 1262027

DOI:: https://doi.org/10.17188/1262027

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                    Materials Data on Eu(Al4Fe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262027.

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                    Materials Data on Eu(Al4Fe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262027

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                    2020.  
"Materials Data on Eu(Al4Fe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262027.  https://www.osti.gov/servlets/purl/1262027. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1262027,

  title        = {Materials Data on Eu(Al4Fe)2 by Materials Project},

  
  abstractNote = {Al8Fe2Eu crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Eu–Al bond distances ranging from 3.15–3.35 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.59 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.35–2.57 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.02 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms. All Al–Al bond lengths are 2.89 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Fe and four Al atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.73 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and six Al atoms. There are one shorter (2.71 Å) and two longer (2.84 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and five Al atoms. There are one shorter (2.73 Å) and two longer (2.83 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 1-coordinate geometry to three Fe and two equivalent Al atoms. Both Al–Al bond lengths are 3.02 Å. In the eighth Al site, Al is bonded in a distorted linear geometry to two equivalent Eu, two Fe, and six Al atoms. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Fe, and eight Al atoms.},

  doi          = {10.17188/1262027},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1262027

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