Materials Data on Er(Al2Fe)4 by Materials Project

doi:10.17188/1207165

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

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Abstract

ErFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Er–Fe bond lengths are 3.31 Å. There are four shorter (2.95 Å) and eight longer (3.15 Å) Er–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Er, 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 (2.62 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 Er, 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 Er, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-3633

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

OSTI Identifier:: 1207165

DOI:: https://doi.org/10.17188/1207165

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                    The Materials Project. Materials Data on Er(Al2Fe)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207165.

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                    The Materials Project. Materials Data on Er(Al2Fe)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207165

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                    The Materials Project. 2020.  
"Materials Data on Er(Al2Fe)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207165.  https://www.osti.gov/servlets/purl/1207165. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207165,

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

  author       = {The Materials Project},

  abstractNote = {ErFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Er–Fe bond lengths are 3.31 Å. There are four shorter (2.95 Å) and eight longer (3.15 Å) Er–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Er, 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 (2.62 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 Er, 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 Er, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å.},

  doi          = {10.17188/1207165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207165

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