Materials Data on Tb(AlAu)2 by Materials Project

doi:10.17188/1701221

Title: Materials Data on Tb(AlAu)2 by Materials Project

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Abstract

TbAu2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.33 Å) and four longer (3.40 Å) Tb–Au bond lengths. There are four shorter (3.32 Å) and four longer (3.43 Å) Tb–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Tb and four equivalent Al atoms to form distorted AuTb4Al4 tetrahedra that share corners with twelve equivalent AlTb4Au4 tetrahedra, edges with two equivalent AlTb4Au4 tetrahedra, edges with four equivalent AuTb4Al4 tetrahedra, and faces with four equivalent AuTb4Al4 tetrahedra. All Au–Al bond lengths are 2.58 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to four equivalent Tb and five Al atoms. There are one shorter (2.49 Å) and four longer (2.59 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb and four equivalent Au atoms to form AlTb4Au4 tetrahedra that share corners with twelve equivalent AuTb4Al4 tetrahedra, edges with two equivalent AuTb4Al4 tetrahedra, edges with four equivalent AlTb4Au4 tetrahedra, and faces withmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1078833

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(AlAu)2; Al-Au-Tb

OSTI Identifier:: 1701221

DOI:: https://doi.org/10.17188/1701221

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                    The Materials Project. Materials Data on Tb(AlAu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1701221.

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                    The Materials Project. Materials Data on Tb(AlAu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1701221

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                    The Materials Project. 2020.  
"Materials Data on Tb(AlAu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1701221.  https://www.osti.gov/servlets/purl/1701221. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1701221,

  title        = {Materials Data on Tb(AlAu)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbAu2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.33 Å) and four longer (3.40 Å) Tb–Au bond lengths. There are four shorter (3.32 Å) and four longer (3.43 Å) Tb–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Tb and four equivalent Al atoms to form distorted AuTb4Al4 tetrahedra that share corners with twelve equivalent AlTb4Au4 tetrahedra, edges with two equivalent AlTb4Au4 tetrahedra, edges with four equivalent AuTb4Al4 tetrahedra, and faces with four equivalent AuTb4Al4 tetrahedra. All Au–Al bond lengths are 2.58 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to four equivalent Tb and five Al atoms. There are one shorter (2.49 Å) and four longer (2.59 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb and four equivalent Au atoms to form AlTb4Au4 tetrahedra that share corners with twelve equivalent AuTb4Al4 tetrahedra, edges with two equivalent AuTb4Al4 tetrahedra, edges with four equivalent AlTb4Au4 tetrahedra, and faces with four equivalent AlTb4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent Tb and five Au atoms.},

  doi          = {10.17188/1701221},

  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/10.17188/1701221

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