Materials Data on La(Al5Cu)2 by Materials Project

doi:10.17188/1726889

Title: Materials Data on La(Al5Cu)2 by Materials Project

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Abstract

La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Cu and sixteen Al atoms. All La–Cu bond lengths are 3.59 Å. There are a spread of La–Al bond distances ranging from 3.24–3.42 Å. Cu is bonded in a 12-coordinate geometry to two equivalent La and eight Al atoms. There are four shorter (2.60 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one La, two equivalent Cu, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.91 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent La, two equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å. In the third Al site, Al is bonded to two equivalent La and ten Al atoms to form a mixture of corner and face-sharing AlLa2Al10 cuboctahedra. Both Al–Al bond lengths are 2.62 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1223260

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(Al5Cu)2; Al-Cu-La

OSTI Identifier:: 1726889

DOI:: https://doi.org/10.17188/1726889

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                    The Materials Project. Materials Data on La(Al5Cu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1726889.

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                    The Materials Project. Materials Data on La(Al5Cu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1726889

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                    The Materials Project. 2020.  
"Materials Data on La(Al5Cu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1726889.  https://www.osti.gov/servlets/purl/1726889. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1726889,

  title        = {Materials Data on La(Al5Cu)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Cu and sixteen Al atoms. All La–Cu bond lengths are 3.59 Å. There are a spread of La–Al bond distances ranging from 3.24–3.42 Å. Cu is bonded in a 12-coordinate geometry to two equivalent La and eight Al atoms. There are four shorter (2.60 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one La, two equivalent Cu, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.91 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent La, two equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å. In the third Al site, Al is bonded to two equivalent La and ten Al atoms to form a mixture of corner and face-sharing AlLa2Al10 cuboctahedra. Both Al–Al bond lengths are 2.62 Å.},

  doi          = {10.17188/1726889},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1726889

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