Materials Data on As2Pd5 by Materials Project
Pd5As2 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four As atoms. There are a spread of Pd–Pd bond distances ranging from 2.83–2.91 Å. There are three shorter (2.63 Å) and one longer (2.78 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to nine Pd and four As atoms. There are a spread of Pd–Pd bond distances ranging from 2.79–3.08 Å. There are a spread of Pd–As bond distances ranging from 2.53–2.91 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four As atoms. There are three shorter (2.91 Å) and three longer (3.14 Å) Pd–Pd bond lengths. There are three shorter (2.65 Å) and one longer (2.79 Å) Pd–As bond lengths. In the fourth Pd site, Pd is bonded in a 12-coordinate geometry to eight Pd and four As atoms. There are a spread of Pd–Pd bond distances ranging from 2.77–2.99 Å. There are a spread of Pd–As bond distances ranging from 2.46–2.69 Å. In the fifth Pd site, Pd is bonded in a 3-coordinate geometry to seven Pd and three As atoms. There are one shorter (2.57 Å) and two longer (2.58 Å) Pd–As bond lengths. In the sixth Pd site, Pd is bonded in a 1-coordinate geometry to seven Pd and five As atoms. There are a spread of Pd–As bond distances ranging from 2.47–3.02 Å. There are three inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten Pd atoms. In the second As site, As is bonded in a 10-coordinate geometry to ten Pd atoms. In the third As site, As is bonded in a 10-coordinate geometry to ten Pd atoms.