Materials Data on Lu(Al2Cu)4 by Materials Project

doi:10.17188/1738646

Title: Materials Data on Lu(Al2Cu)4 by Materials Project

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Abstract

Lu(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Lu–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Lu–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.57 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Cu, and four equivalent Al atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1103511

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Al-Cu-Lu; Lu(Al2Cu)4; crystal structure

OSTI Identifier:: 1738646

DOI:: https://doi.org/10.17188/1738646

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                    Materials Data on Lu(Al2Cu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738646.

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                    Materials Data on Lu(Al2Cu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738646

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                    2020.  
"Materials Data on Lu(Al2Cu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738646.  https://www.osti.gov/servlets/purl/1738646. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1738646,

  title        = {Materials Data on Lu(Al2Cu)4 by Materials Project},

  
  abstractNote = {Lu(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Lu–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Lu–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.57 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Cu, and four equivalent Al atoms.},

  doi          = {10.17188/1738646},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738646

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