Materials Data on ThAlIr by Materials Project

Abstract

ThIrAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Ir atoms. There are four shorter (3.01 Å) and one longer (3.02 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Ir–Al bond lengths are 2.66 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Ir–Al bond lengths are 2.86 Å. Al is bonded in a 4-coordinate geometry to four Ir atoms.