Materials Data on U2Al20Fe by Materials Project

doi:10.17188/1277379

Title: Materials Data on U2Al20Fe by Materials Project

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Abstract

U2FeAl20 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to fifteen Al atoms. There are a spread of U–Al bond distances ranging from 2.89–3.38 Å. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.45–2.52 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Fe and eight Al atoms. There are four shorter (2.62 Å) and four longer (2.65 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 6-coordinate geometry to two equivalent U and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–3.09 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent U and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.62–3.19 Å. In the fourth Al site, Al is bonded in a 1-coordinate geometry to one U, one Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.87 Å. In the fifth Almore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-604254

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; U2Al20Fe; Al-Fe-U

OSTI Identifier:: 1277379

DOI:: https://doi.org/10.17188/1277379

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                    The Materials Project. Materials Data on U2Al20Fe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277379.

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                    The Materials Project. Materials Data on U2Al20Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1277379

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                    The Materials Project. 2020.  
"Materials Data on U2Al20Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1277379.  https://www.osti.gov/servlets/purl/1277379. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1277379,

  title        = {Materials Data on U2Al20Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2FeAl20 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to fifteen Al atoms. There are a spread of U–Al bond distances ranging from 2.89–3.38 Å. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.45–2.52 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Fe and eight Al atoms. There are four shorter (2.62 Å) and four longer (2.65 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 6-coordinate geometry to two equivalent U and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–3.09 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent U and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.62–3.19 Å. In the fourth Al site, Al is bonded in a 1-coordinate geometry to one U, one Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.87 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent U and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.12 Å. In the sixth Al site, Al is bonded in a 1-coordinate geometry to one U, one Fe, and seven Al atoms. In the seventh Al site, Al is bonded in a linear geometry to two equivalent U and eight Al atoms. In the eighth Al site, Al is bonded in a 8-coordinate geometry to two equivalent U and six Al atoms. Both Al–Al bond lengths are 2.70 Å.},

  doi          = {10.17188/1277379},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277379

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