Materials Data on Yb(AlFe)6 by Materials Project

doi:10.17188/1718627

Title: Materials Data on Yb(AlFe)6 by Materials Project

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Abstract

Yb(FeAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are four shorter (3.23 Å) and eight longer (3.27 Å) Yb–Fe bond lengths. There are a spread of Yb–Al bond distances ranging from 2.82–2.99 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Yb, four Fe, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.49 Å. There are a spread of Fe–Al bond distances ranging from 2.51–2.59 Å. In the second Fe site, Fe is bonded to two equivalent Yb, four equivalent Fe, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.56–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Yb, six Fe, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1215770

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; Yb(AlFe)6; Al-Fe-Yb

OSTI Identifier:: 1718627

DOI:: https://doi.org/10.17188/1718627

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                    The Materials Project. Materials Data on Yb(AlFe)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1718627.

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                    The Materials Project. Materials Data on Yb(AlFe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718627

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                    The Materials Project. 2019.  
"Materials Data on Yb(AlFe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718627.  https://www.osti.gov/servlets/purl/1718627. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1718627,

  title        = {Materials Data on Yb(AlFe)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(FeAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are four shorter (3.23 Å) and eight longer (3.27 Å) Yb–Fe bond lengths. There are a spread of Yb–Al bond distances ranging from 2.82–2.99 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Yb, four Fe, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.49 Å. There are a spread of Fe–Al bond distances ranging from 2.51–2.59 Å. In the second Fe site, Fe is bonded to two equivalent Yb, four equivalent Fe, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.56–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Yb, six Fe, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 7-coordinate geometry to one Yb and six Fe atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, six Fe, and two equivalent Al atoms.},

  doi          = {10.17188/1718627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1718627

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