Materials Data on SmAl3Cu by Materials Project

doi:10.17188/1732485

Title: Materials Data on SmAl3Cu by Materials Project

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Abstract

SmCuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Al atoms. All Sm–Cu bond lengths are 3.26 Å. There are a spread of Sm–Al bond distances ranging from 3.12–3.39 Å. Cu is bonded in a 5-coordinate geometry to four equivalent Sm and five Al atoms. There are one shorter (2.35 Å) and four longer (2.45 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent Sm and two equivalent Cu atoms. In the second Al site, Al is bonded in a distorted single-bond geometry to four equivalent Sm and one Cu atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219105

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; SmAl3Cu; Al-Cu-Sm

OSTI Identifier:: 1732485

DOI:: https://doi.org/10.17188/1732485

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                    The Materials Project. Materials Data on SmAl3Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732485.

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                    The Materials Project. Materials Data on SmAl3Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1732485

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                    The Materials Project. 2020.  
"Materials Data on SmAl3Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1732485.  https://www.osti.gov/servlets/purl/1732485. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732485,

  title        = {Materials Data on SmAl3Cu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Al atoms. All Sm–Cu bond lengths are 3.26 Å. There are a spread of Sm–Al bond distances ranging from 3.12–3.39 Å. Cu is bonded in a 5-coordinate geometry to four equivalent Sm and five Al atoms. There are one shorter (2.35 Å) and four longer (2.45 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent Sm and two equivalent Cu atoms. In the second Al site, Al is bonded in a distorted single-bond geometry to four equivalent Sm and one Cu atom.},

  doi          = {10.17188/1732485},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732485

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