Materials Data on BaMg6Co by Materials Project

Abstract

BaMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to four Mg and two equivalent Co atoms. There are two shorter (3.35 Å) and two longer (3.37 Å) Ba–Mg bond lengths. Both Ba–Co bond lengths are 3.44 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one Co atom. Both Mg–Mg bond lengths are 3.02 Å. The Mg–Co bond length is 2.70 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 3.27 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Ba and two equivalent Co atoms. Both Mg–Co bond lengths are 2.71 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba and four equivalent Mg atoms. Co is bonded in a 10-coordinate geometry to two equivalent Ba and eight Mg atoms.