Materials Data on Dy2Al3Fe14 by Materials Project

doi:10.17188/1727217

Title: Materials Data on Dy2Al3Fe14 by Materials Project

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Abstract

Dy2Fe14Al3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to sixteen Fe and three equivalent Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.01–3.25 Å. All Dy–Al bond lengths are 3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, eight Fe, and two equivalent Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.50–2.75 Å. Both Fe–Al bond lengths are 2.45 Å. In the second Fe site, Fe is bonded to three equivalent Dy, seven Fe, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3Al2Fe7 cuboctahedra. There are two shorter (2.43 Å) and one longer (2.68 Å) Fe–Fe bond lengths. Both Fe–Al bond lengths are 2.46 Å. In the third Fe site, Fe is bonded in a 4-coordinate geometry to one Dy, ten Fe, and three equivalent Al atoms. The Fe–Fe bond length is 2.31 Å. All Fe–Al bond lengths are 2.62 Å. Al is bonded in a 10-coordinate geometry to two equivalent Dy and ten Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1106052

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; Dy2Al3Fe14; Al-Dy-Fe

OSTI Identifier:: 1727217

DOI:: https://doi.org/10.17188/1727217

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                    The Materials Project. Materials Data on Dy2Al3Fe14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727217.

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                    The Materials Project. Materials Data on Dy2Al3Fe14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727217

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                    The Materials Project. 2020.  
"Materials Data on Dy2Al3Fe14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727217.  https://www.osti.gov/servlets/purl/1727217. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1727217,

  title        = {Materials Data on Dy2Al3Fe14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2Fe14Al3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to sixteen Fe and three equivalent Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.01–3.25 Å. All Dy–Al bond lengths are 3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, eight Fe, and two equivalent Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.50–2.75 Å. Both Fe–Al bond lengths are 2.45 Å. In the second Fe site, Fe is bonded to three equivalent Dy, seven Fe, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3Al2Fe7 cuboctahedra. There are two shorter (2.43 Å) and one longer (2.68 Å) Fe–Fe bond lengths. Both Fe–Al bond lengths are 2.46 Å. In the third Fe site, Fe is bonded in a 4-coordinate geometry to one Dy, ten Fe, and three equivalent Al atoms. The Fe–Fe bond length is 2.31 Å. All Fe–Al bond lengths are 2.62 Å. Al is bonded in a 10-coordinate geometry to two equivalent Dy and ten Fe atoms.},

  doi          = {10.17188/1727217},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1727217

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