Materials Data on Mg8BPt4 by Materials Project

Abstract

Mg8Pt4B crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Pt atoms. There are two shorter (2.70 Å) and two longer (3.02 Å) Mg–Pt bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Pt and two equivalent B atoms. All Mg–Pt bond lengths are 2.80 Å. Both Mg–B bond lengths are 2.67 Å. Pt is bonded in a 10-coordinate geometry to nine Mg and one B atom. The Pt–B bond length is 2.12 Å. B is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pt atoms.