Materials Data on SrMg5 by Materials Project

Abstract

SrMg5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sr is bonded in a distorted hexagonal planar geometry to eighteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.57–4.02 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Sr and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgSr4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Sr and six Mg atoms. Both Mg–Mg bond lengths are 3.10 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Sr and six Mg atoms. Both Mg–Mg bond lengths are 3.10 Å. In the fourth Mg site, Mg is bonded to four equivalent Sr and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgSr4Mg8 cuboctahedra.