Materials Data on TiGePd by Materials Project

Abstract

TiPdGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Pd and five Ge atoms. There are two shorter (2.88 Å) and four longer (3.04 Å) Ti–Pd bond lengths. All Ti–Ge bond lengths are 2.74 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Ti and four Ge atoms. There are two shorter (2.50 Å) and two longer (2.54 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Pd atoms.