Materials Data on Tm(Al2Cu)4 by Materials Project

doi:10.17188/1311045

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

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Abstract

Tm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Tm–Cu bond lengths are 3.36 Å. There are four shorter (3.05 Å) and eight longer (3.20 Å) Tm–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Tm, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and four equivalent Al atoms. There are two shorter (2.80 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Tm, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.68 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-865864

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; Tm(Al2Cu)4; Al-Cu-Tm

OSTI Identifier:: 1311045

DOI:: https://doi.org/10.17188/1311045

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                    The Materials Project. Materials Data on Tm(Al2Cu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311045.

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                    The Materials Project. Materials Data on Tm(Al2Cu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311045

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                    The Materials Project. 2020.  
"Materials Data on Tm(Al2Cu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311045.  https://www.osti.gov/servlets/purl/1311045. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1311045,

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

  author       = {The Materials Project},

  abstractNote = {Tm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Tm–Cu bond lengths are 3.36 Å. There are four shorter (3.05 Å) and eight longer (3.20 Å) Tm–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Tm, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and four equivalent Al atoms. There are two shorter (2.80 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Tm, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.68 Å.},

  doi          = {10.17188/1311045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1311045

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