Materials Data on SmAlCu by Materials Project

Abstract

SmCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are four shorter (2.96 Å) and one longer (2.97 Å) Sm–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.29 Å) Sm–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Al atoms. All Cu–Al bond lengths are 2.63 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Al atoms. All Cu–Al bond lengths are 2.81 Å. Al is bonded in a 12-coordinate geometry to six equivalent Sm, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.