Materials Data on Mg3Pd by Materials Project

Abstract

Mg3Pd crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pd atoms. All Mg–Pd bond lengths are 2.70 Å. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Pd atoms. All Mg–Pd bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Pd atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) Mg–Pd bond lengths. In the fourth Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Pd atoms. There are one shorter (2.79 Å) and two longer (2.86 Å) Mg–Pd bond lengths. Pd is bonded in a 10-coordinate geometry to eight Mg atoms.