Materials Data on YPdPb by Materials Project

Abstract

YPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.09 Å) and one longer (3.14 Å) Y–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.38 Å) Y–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.92 Å. Pb is bonded in a distorted q6 geometry to six equivalent Y and four Pd atoms.