Materials Data on MgMo3 by Materials Project

Abstract

MgMo3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Mo atoms. There are eight shorter (2.76 Å) and six longer (3.19 Å) Mg–Mo bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded to four equivalent Mg and four equivalent Mo atoms to form a mixture of distorted edge, face, and corner-sharing MoMg4Mo4 tetrahedra. All Mo–Mo bond lengths are 2.76 Å. In the second Mo site, Mo is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Mo atoms.