Materials Data on Sm12Al7Si by Materials Project

doi:10.17188/1738693

Title: Materials Data on Sm12Al7Si by Materials Project

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Abstract

Sm12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Sm–Al bond distances ranging from 3.12–3.44 Å. The Sm–Si bond length is 3.05 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Sm–Al bond distances ranging from 3.22–3.58 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Sm–Al bond distances ranging from 3.07–3.77 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to nine Sm and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In the third Al site, Al is bonded in a 9-coordinate geometry to nine Sm atoms. Si is bonded in a 8-coordinate geometry to eight equivalent Sm atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1209154

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; Sm12Al7Si; Al-Si-Sm

OSTI Identifier:: 1738693

DOI:: https://doi.org/10.17188/1738693

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                    The Materials Project. Materials Data on Sm12Al7Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738693.

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                    The Materials Project. Materials Data on Sm12Al7Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1738693

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                    The Materials Project. 2020.  
"Materials Data on Sm12Al7Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1738693.  https://www.osti.gov/servlets/purl/1738693. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1738693,

  title        = {Materials Data on Sm12Al7Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Sm–Al bond distances ranging from 3.12–3.44 Å. The Sm–Si bond length is 3.05 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Sm–Al bond distances ranging from 3.22–3.58 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Sm–Al bond distances ranging from 3.07–3.77 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to nine Sm and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In the third Al site, Al is bonded in a 9-coordinate geometry to nine Sm atoms. Si is bonded in a 8-coordinate geometry to eight equivalent Sm atoms.},

  doi          = {10.17188/1738693},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738693

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