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Title: Materials Data on SmAlSi by Materials Project

Abstract

AlSiSm is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Sm is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing SmAl6Si6 cuboctahedra. There are two shorter (3.19 Å) and four longer (3.20 Å) Sm–Al bond lengths. There are four shorter (3.19 Å) and two longer (3.22 Å) Sm–Si bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Sm and three equivalent Si atoms. There are one shorter (2.41 Å) and two longer (2.42 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Sm and three equivalent Si atoms. There are two shorter (3.19 Å) and four longer (3.20 Å) Al–Sm bond lengths. There are one shorter (2.41 Å) and two longer (2.42 Å) Al–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Sm and three Al atoms.

Publication Date:
Other Number(s):
mp-12804
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SmAlSi; Al-Si-Sm
OSTI Identifier:
1189207
DOI:
https://doi.org/10.17188/1189207

Citation Formats

The Materials Project. Materials Data on SmAlSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189207.
The Materials Project. Materials Data on SmAlSi by Materials Project. United States. doi:https://doi.org/10.17188/1189207
The Materials Project. 2020. "Materials Data on SmAlSi by Materials Project". United States. doi:https://doi.org/10.17188/1189207. https://www.osti.gov/servlets/purl/1189207. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189207,
title = {Materials Data on SmAlSi by Materials Project},
author = {The Materials Project},
abstractNote = {AlSiSm is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Sm is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing SmAl6Si6 cuboctahedra. There are two shorter (3.19 Å) and four longer (3.20 Å) Sm–Al bond lengths. There are four shorter (3.19 Å) and two longer (3.22 Å) Sm–Si bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Sm and three equivalent Si atoms. There are one shorter (2.41 Å) and two longer (2.42 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Sm and three equivalent Si atoms. There are two shorter (3.19 Å) and four longer (3.20 Å) Al–Sm bond lengths. There are one shorter (2.41 Å) and two longer (2.42 Å) Al–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Sm and three Al atoms.},
doi = {10.17188/1189207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}