Materials Data on Tb(Al2Cu)4 by Materials Project

doi:10.17188/1662673

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

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Abstract

Tb(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Tb–Cu bond lengths are 3.38 Å. There are four shorter (3.07 Å) and eight longer (3.22 Å) Tb–Al bond lengths. Cu is bonded to two equivalent Tb, two equivalent Cu, and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing CuTb2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.57 Å) and four longer (2.70 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 Tb, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.74 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1104741

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

OSTI Identifier:: 1662673

DOI:: https://doi.org/10.17188/1662673

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                    The Materials Project. Materials Data on Tb(Al2Cu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662673.

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                    The Materials Project. Materials Data on Tb(Al2Cu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662673

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                    The Materials Project. 2020.  
"Materials Data on Tb(Al2Cu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662673.  https://www.osti.gov/servlets/purl/1662673. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1662673,

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

  author       = {The Materials Project},

  abstractNote = {Tb(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Tb–Cu bond lengths are 3.38 Å. There are four shorter (3.07 Å) and eight longer (3.22 Å) Tb–Al bond lengths. Cu is bonded to two equivalent Tb, two equivalent Cu, and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing CuTb2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.57 Å) and four longer (2.70 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 Tb, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.74 Å.},

  doi          = {10.17188/1662673},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662673

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