Materials Data on ThAlPd by Materials Project

Abstract

ThPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pd atoms. There are four shorter (3.04 Å) and one longer (3.07 Å) Th–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Pd–Al bond lengths are 2.71 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Pd–Al bond lengths are 2.88 Å. Al is bonded in a 4-coordinate geometry to four Pd atoms.