Materials Data on BaMg4Ge3 by Materials Project

Abstract

BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.56 Å. Mg is bonded to two equivalent Ba and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing MgBa2Ge4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.61 Å.