Materials Data on Ce(AlAu)2 by Materials Project

doi:10.17188/1684530

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

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Abstract

Ce(AuAl)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.38 Å) and four longer (3.42 Å) Ce–Au bond lengths. There are four shorter (3.39 Å) and four longer (3.43 Å) Ce–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Ce and four equivalent Al atoms to form distorted AuCe4Al4 tetrahedra that share corners with twelve equivalent AlCe4Au4 tetrahedra, edges with two equivalent AlCe4Au4 tetrahedra, edges with four equivalent AuCe4Al4 tetrahedra, and faces with four equivalent AuCe4Al4 tetrahedra. All Au–Al bond lengths are 2.59 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.51 Å) and four longer (2.61 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Ce and four equivalent Au atoms to form distorted AlCe4Au4 tetrahedra that share corners with twelve equivalent AuCe4Al4 tetrahedra, edges with two equivalent AuCe4Al4 tetrahedra, edges with four equivalent AlCe4Au4 tetrahedra, and facesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1078886

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; Ce(AlAu)2; Al-Au-Ce

OSTI Identifier:: 1684530

DOI:: https://doi.org/10.17188/1684530

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                    The Materials Project. Materials Data on Ce(AlAu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684530.

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                    The Materials Project. Materials Data on Ce(AlAu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684530

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                    The Materials Project. 2020.  
"Materials Data on Ce(AlAu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684530.  https://www.osti.gov/servlets/purl/1684530. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1684530,

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

  author       = {The Materials Project},

  abstractNote = {Ce(AuAl)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.38 Å) and four longer (3.42 Å) Ce–Au bond lengths. There are four shorter (3.39 Å) and four longer (3.43 Å) Ce–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Ce and four equivalent Al atoms to form distorted AuCe4Al4 tetrahedra that share corners with twelve equivalent AlCe4Au4 tetrahedra, edges with two equivalent AlCe4Au4 tetrahedra, edges with four equivalent AuCe4Al4 tetrahedra, and faces with four equivalent AuCe4Al4 tetrahedra. All Au–Al bond lengths are 2.59 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.51 Å) and four longer (2.61 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Ce and four equivalent Au atoms to form distorted AlCe4Au4 tetrahedra that share corners with twelve equivalent AuCe4Al4 tetrahedra, edges with two equivalent AuCe4Al4 tetrahedra, edges with four equivalent AlCe4Au4 tetrahedra, and faces with four equivalent AlCe4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Au atoms.},

  doi          = {10.17188/1684530},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1684530

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