Materials Data on Mg5Pd2 by Materials Project

Abstract

Mg5Pd2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Pd atoms. There are a spread of Mg–Pd bond distances ranging from 2.63–2.99 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Pd atoms. There are two shorter (2.80 Å) and one longer (3.09 Å) Mg–Pd bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.76 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Mg atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine Mg atoms.