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 distorted single-bond geometry to three equivalent Pd atoms. There are one shorter (2.63 Å) and two longer (3.13 Å) Mg–Pd bond lengths. In the second Mg site, Mg is bonded in a distorted single-bond geometry to three Pd atoms. There are one shorter (2.42 Å) and two longer (2.95 Å) Mg–Pd bond lengths. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.75 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 distorted trigonal planar geometry to three equivalent Mg atoms.