Materials Data on Mg3Co by Materials Project

Abstract

Mg3Co is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Mg and four equivalent Co atoms to form a mixture of distorted edge, face, and corner-sharing MgMg4Co4 tetrahedra. All Mg–Mg bond lengths are 2.82 Å. All Mg–Co bond lengths are 2.82 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Co atoms. All Mg–Co bond lengths are 3.25 Å. Co is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.