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Materials Data on SmAlGe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205130· OSTI ID:1205130
SmAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Sm is bonded to six equivalent Al and six equivalent Ge atoms to form a mixture of edge and face-sharing SmAl6Ge6 cuboctahedra. All Sm–Al bond lengths are 3.23 Å. There are four shorter (3.22 Å) and two longer (3.26 Å) Sm–Ge 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 Ge atoms. There are one shorter (2.44 Å) and two longer (2.45 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Sm and three equivalent Ge atoms. All Al–Sm bond lengths are 3.23 Å. There are one shorter (2.44 Å) and two longer (2.45 Å) Al–Ge bond lengths. Ge is bonded in a distorted trigonal planar geometry to six equivalent Sm and three equivalent Al atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1205130
Report Number(s):
mp-3077
Country of Publication:
United States
Language:
English

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