Materials Data on U(Al10Cr)2 by Materials Project

doi:10.17188/1701376

Title: Materials Data on U(Al10Cr)2 by Materials Project

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Abstract

U(CrAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Cr and twelve equivalent Al atoms. All U–Cr bond lengths are 3.17 Å. All U–Al bond lengths are 3.16 Å. Cr is bonded in a 2-coordinate geometry to two equivalent U and twelve equivalent Al atoms. All Cr–Al bond lengths are 3.08 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve Al atoms to form a mixture of distorted face, edge, and corner-sharing AlAl12 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.59–2.93 Å. In the second Al site, Al is bonded to twelve Al atoms to form a mixture of face, edge, and corner-sharing AlAl12 cuboctahedra. All Al–Al bond lengths are 2.91 Å. In the third Al site, Al is bonded to one U, two equivalent Cr, and nine Al atoms to form a mixture of distorted face, edge, and corner-sharing AlUAl9Cr2 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.63–3.02 Å.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1204284

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(Al10Cr)2; Al-Cr-U

OSTI Identifier:: 1701376

DOI:: https://doi.org/10.17188/1701376

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                    The Materials Project. Materials Data on U(Al10Cr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1701376.

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                    The Materials Project. Materials Data on U(Al10Cr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1701376

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                    The Materials Project. 2020.  
"Materials Data on U(Al10Cr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1701376.  https://www.osti.gov/servlets/purl/1701376. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1701376,

  title        = {Materials Data on U(Al10Cr)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U(CrAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Cr and twelve equivalent Al atoms. All U–Cr bond lengths are 3.17 Å. All U–Al bond lengths are 3.16 Å. Cr is bonded in a 2-coordinate geometry to two equivalent U and twelve equivalent Al atoms. All Cr–Al bond lengths are 3.08 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve Al atoms to form a mixture of distorted face, edge, and corner-sharing AlAl12 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.59–2.93 Å. In the second Al site, Al is bonded to twelve Al atoms to form a mixture of face, edge, and corner-sharing AlAl12 cuboctahedra. All Al–Al bond lengths are 2.91 Å. In the third Al site, Al is bonded to one U, two equivalent Cr, and nine Al atoms to form a mixture of distorted face, edge, and corner-sharing AlUAl9Cr2 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.63–3.02 Å.},

  doi          = {10.17188/1701376},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1701376

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