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Title: Materials Data on Sm12Al7Si by Materials Project

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:
Publication Date:
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

Citation Formats

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