Materials Data on AsPd2 by Materials Project
Pd2As crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to six Pd and four As atoms. There are a spread of Pd–Pd bond distances ranging from 2.83–2.90 Å. There are a spread of Pd–As bond distances ranging from 2.52–2.67 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd and four As atoms. There are two shorter (2.91 Å) and four longer (2.92 Å) Pd–Pd bond lengths. There are a spread of Pd–As bond distances ranging from 2.52–2.71 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to five Pd and five As atoms. There are a spread of Pd–As bond distances ranging from 2.58–2.85 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to six Pd and four equivalent As atoms. There are two shorter (2.60 Å) and two longer (2.73 Å) Pd–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Pd atoms.