Materials Data on U(Al2Cr)4 by Materials Project

doi:10.17188/1267886

Title: Materials Data on U(Al2Cr)4 by Materials Project

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Abstract

UCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All U–Cr bond lengths are 3.38 Å. There are four shorter (3.03 Å) and eight longer (3.15 Å) U–Al bond lengths. Cr is bonded to two equivalent U, two equivalent Cr, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing CrU2Al8Cr2 cuboctahedra. Both Cr–Cr bond lengths are 2.50 Å. There are four shorter (2.56 Å) and four longer (2.67 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.88 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cr, and six Al atoms. Both Al–Al bond lengths are 2.72 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-5544

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(Al2Cr)4; Al-Cr-U

OSTI Identifier:: 1267886

DOI:: https://doi.org/10.17188/1267886

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                    The Materials Project. Materials Data on U(Al2Cr)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267886.

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                    The Materials Project. Materials Data on U(Al2Cr)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267886

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                    The Materials Project. 2020.  
"Materials Data on U(Al2Cr)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267886.  https://www.osti.gov/servlets/purl/1267886. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1267886,

  title        = {Materials Data on U(Al2Cr)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All U–Cr bond lengths are 3.38 Å. There are four shorter (3.03 Å) and eight longer (3.15 Å) U–Al bond lengths. Cr is bonded to two equivalent U, two equivalent Cr, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing CrU2Al8Cr2 cuboctahedra. Both Cr–Cr bond lengths are 2.50 Å. There are four shorter (2.56 Å) and four longer (2.67 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.88 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cr, and six Al atoms. Both Al–Al bond lengths are 2.72 Å.},

  doi          = {10.17188/1267886},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267886

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