Materials Data on SmAl by Materials Project

doi:10.17188/1316041

Title: Materials Data on SmAl by Materials Project

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Abstract

SmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.43 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Sm and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å. In the second Al site, Al is bonded to eight Sm and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlSm8Al4 cuboctahedra. Both Al–Al bond lengths are 2.85 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-978951

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; SmAl; Al-Sm

OSTI Identifier:: 1316041

DOI:: https://doi.org/10.17188/1316041

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                    The Materials Project. Materials Data on SmAl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316041.

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                    The Materials Project. Materials Data on SmAl by Materials Project.  United States.  doi:https://doi.org/10.17188/1316041

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                    The Materials Project. 2020.  
"Materials Data on SmAl by Materials Project".  United States.  doi:https://doi.org/10.17188/1316041.  https://www.osti.gov/servlets/purl/1316041. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1316041,

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

  author       = {The Materials Project},

  abstractNote = {SmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.43 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Sm and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å. In the second Al site, Al is bonded to eight Sm and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlSm8Al4 cuboctahedra. Both Al–Al bond lengths are 2.85 Å.},

  doi          = {10.17188/1316041},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316041

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