skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmAlSi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189207· OSTI ID:1189207

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1189207
Report Number(s):
mp-12804
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on GdAlSi by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1189207

Materials Data on Sr3Nd10Al12Si18(N2O)18 by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1189207

Materials Data on CeSiPt by Materials Project
Dataset · Thu Jul 16 00:00:00 EDT 2020 · OSTI ID:1189207