Materials Data on SmAlGe by Materials Project

Abstract

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.