Materials Data on Ho(Al2Fe)4 by Materials Project

doi:10.17188/1205483

Title: Materials Data on Ho(Al2Fe)4 by Materials Project

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Abstract

HoFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ho–Fe bond lengths are 3.32 Å. There are four shorter (2.95 Å) and eight longer (3.16 Å) Ho–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-31179

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; Ho(Al2Fe)4; Al-Fe-Ho

OSTI Identifier:: 1205483

DOI:: https://doi.org/10.17188/1205483

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                    The Materials Project. Materials Data on Ho(Al2Fe)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205483.

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                    The Materials Project. Materials Data on Ho(Al2Fe)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205483

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                    The Materials Project. 2020.  
"Materials Data on Ho(Al2Fe)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205483.  https://www.osti.gov/servlets/purl/1205483. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205483,

  title        = {Materials Data on Ho(Al2Fe)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ho–Fe bond lengths are 3.32 Å. There are four shorter (2.95 Å) and eight longer (3.16 Å) Ho–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.},

  doi          = {10.17188/1205483},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205483

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