Materials Data on U(Al2Cu)4 by Materials Project

doi:10.17188/1752944

Title: Materials Data on U(Al2Cu)4 by Materials Project

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Abstract

UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted square co-planar geometry to four equivalent Cu and sixteen Al atoms. All U–Cu bond lengths are 3.04 Å. There are eight shorter (3.33 Å) and eight longer (3.36 Å) U–Al bond lengths. Cu is bonded in a 10-coordinate geometry to one U, one Cu, and eight Al atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Al bond distances ranging from 2.70–2.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. There are four shorter (2.57 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1216744

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; U(Al2Cu)4; Al-Cu-U

OSTI Identifier:: 1752944

DOI:: https://doi.org/10.17188/1752944

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                    The Materials Project. Materials Data on U(Al2Cu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752944.

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                    The Materials Project. Materials Data on U(Al2Cu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752944

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                    The Materials Project. 2020.  
"Materials Data on U(Al2Cu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752944.  https://www.osti.gov/servlets/purl/1752944. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1752944,

  title        = {Materials Data on U(Al2Cu)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted square co-planar geometry to four equivalent Cu and sixteen Al atoms. All U–Cu bond lengths are 3.04 Å. There are eight shorter (3.33 Å) and eight longer (3.36 Å) U–Al bond lengths. Cu is bonded in a 10-coordinate geometry to one U, one Cu, and eight Al atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Al bond distances ranging from 2.70–2.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. There are four shorter (2.57 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.},

  doi          = {10.17188/1752944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1752944

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