Materials Data on UAl7Fe5 by Materials Project

doi:10.17188/1757554

Title: Materials Data on UAl7Fe5 by Materials Project

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Abstract

UFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of U–Fe bond distances ranging from 3.09–3.37 Å. There are a spread of U–Al bond distances ranging from 2.88–3.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, three Fe, and seven Al atoms. There are one shorter (2.45 Å) and two longer (2.49 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.47–2.66 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Fe–Al bond distances ranging from 2.64–2.68 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Fe, and three Almore »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1216328

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; UAl7Fe5; Al-Fe-U

OSTI Identifier:: 1757554

DOI:: https://doi.org/10.17188/1757554

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                    The Materials Project. Materials Data on UAl7Fe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757554.

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                    The Materials Project. Materials Data on UAl7Fe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757554

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                    The Materials Project. 2020.  
"Materials Data on UAl7Fe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757554.  https://www.osti.gov/servlets/purl/1757554. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757554,

  title        = {Materials Data on UAl7Fe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of U–Fe bond distances ranging from 3.09–3.37 Å. There are a spread of U–Al bond distances ranging from 2.88–3.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, three Fe, and seven Al atoms. There are one shorter (2.45 Å) and two longer (2.49 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.47–2.66 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Fe–Al bond distances ranging from 2.64–2.68 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.83 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one U, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.67 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, five Fe, and five Al atoms.},

  doi          = {10.17188/1757554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757554

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