Materials Data on AsPd2 by Materials Project

Abstract

Pd2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to six equivalent Pd and four As atoms. There are two shorter (2.96 Å) and four longer (2.97 Å) Pd–Pd bond lengths. There are two shorter (2.50 Å) and two longer (2.57 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 11-coordinate geometry to six equivalent Pd and five As atoms. There are one shorter (2.64 Å) and four longer (2.78 Å) Pd–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Pd atoms.