Materials Data on Sm(Al2Cu)4 by Materials Project

Abstract

Sm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Sm–Cu bond lengths are 3.38 Å. There are four shorter (3.08 Å) and eight longer (3.23 Å) Sm–Al bond lengths. Cu is bonded to two equivalent Sm, two equivalent Cu, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing CuSm2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.58 Å. There are four shorter (2.57 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Sm, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sm, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.