Materials Data on La(Al10V)2 by Materials Project

doi:10.17188/1707577

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

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Abstract

LaV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.16 Å) and twelve longer (3.25 Å) La–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 AlLaAl10V cuboctahedra, and faces with six equivalent AlLaAl10V cuboctahedra. There are six shorter (2.59 Å) and six longer (2.81 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first 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 2.73–2.86 Å. In the second Al site, Al is bonded in a linear geometry to two equivalent La and twelve equivalent Al atoms. All Al–Al bond lengths are 3.13 Å. In the third Al site, Al is bonded to one La, one V, and ten Al atoms to form distorted AlLaAl10V cuboctahedra that share corners with fifteen equivalent AlLaAl10V cuboctahedra, edges with two equivalent AlLaAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces withmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1195666

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; La(Al10V)2; Al-La-V

OSTI Identifier:: 1707577

DOI:: https://doi.org/10.17188/1707577

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                    The Materials Project. Materials Data on La(Al10V)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707577.

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                    The Materials Project. Materials Data on La(Al10V)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707577

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                    The Materials Project. 2020.  
"Materials Data on La(Al10V)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707577.  https://www.osti.gov/servlets/purl/1707577. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707577,

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

  author       = {The Materials Project},

  abstractNote = {LaV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.16 Å) and twelve longer (3.25 Å) La–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 AlLaAl10V cuboctahedra, and faces with six equivalent AlLaAl10V cuboctahedra. There are six shorter (2.59 Å) and six longer (2.81 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first 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 2.73–2.86 Å. In the second Al site, Al is bonded in a linear geometry to two equivalent La and twelve equivalent Al atoms. All Al–Al bond lengths are 3.13 Å. In the third Al site, Al is bonded to one La, one V, and ten Al atoms to form distorted AlLaAl10V cuboctahedra that share corners with fifteen equivalent AlLaAl10V cuboctahedra, edges with two equivalent AlLaAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlLaAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.92 Å.},

  doi          = {10.17188/1707577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707577

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