Materials Data on Mg5Pt by Materials Project

Abstract

Mg5Pt crystallizes in the monoclinic C2/m 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 three equivalent Mg and two equivalent Pt atoms. There are two shorter (3.11 Å) and one longer (3.35 Å) Mg–Mg bond lengths. Both Mg–Pt bond lengths are 2.80 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are four shorter (3.03 Å) and two longer (3.33 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent Pt atoms. Both Mg–Pt bond lengths are 2.71 Å. Pt is bonded in a body-centered cubic geometry to eight Mg atoms.