Materials Data on U(Al10V)2 by Materials Project

doi:10.17188/1192381

Title: Materials Data on U(Al10V)2 by Materials Project

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Abstract

UV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.13 Å) and twelve longer (3.17 Å) U–Al bond lengths. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlUAl10V cuboctahedra, and faces with six equivalent AlUAl10V cuboctahedra. There are six shorter (2.56 Å) and six longer (2.82 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent U and twelve equivalent Al atoms. All Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.85 Å. In the third Al site, Al is bonded to one U, one V, and ten Al atoms to form distorted AlUAl10V cuboctahedra that share corners with fifteen equivalent AlUAl10V cuboctahedra, edges with two equivalent AlUAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and facesmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-17188

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(Al10V)2; Al-U-V

OSTI Identifier:: 1192381

DOI:: https://doi.org/10.17188/1192381

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                    The Materials Project. Materials Data on U(Al10V)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192381.

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                    The Materials Project. Materials Data on U(Al10V)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192381

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                    The Materials Project. 2020.  
"Materials Data on U(Al10V)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192381.  https://www.osti.gov/servlets/purl/1192381. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1192381,

  title        = {Materials Data on U(Al10V)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.13 Å) and twelve longer (3.17 Å) U–Al bond lengths. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlUAl10V cuboctahedra, and faces with six equivalent AlUAl10V cuboctahedra. There are six shorter (2.56 Å) and six longer (2.82 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent U and twelve equivalent Al atoms. All Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.85 Å. In the third Al site, Al is bonded to one U, one V, and ten Al atoms to form distorted AlUAl10V cuboctahedra that share corners with fifteen equivalent AlUAl10V cuboctahedra, edges with two equivalent AlUAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlUAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.67–2.93 Å.},

  doi          = {10.17188/1192381},

  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/10.17188/1192381

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