Materials Data on BaMg6Zn by Materials Project

Abstract

BaMg6Zn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to eight Mg and two equivalent Zn atoms. There are a spread of Ba–Mg bond distances ranging from 3.47–3.66 Å. Both Ba–Zn bond lengths are 3.41 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one Ba, two equivalent Mg, and one Zn atom. Both Mg–Mg bond lengths are 3.10 Å. The Mg–Zn bond length is 2.85 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba, one Mg, and two equivalent Zn atoms. The Mg–Mg bond length is 3.20 Å. Both Mg–Zn bond lengths are 2.96 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.25 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba and eight Mg atoms. Zn is bonded in a 8-coordinate geometry to two equivalent Ba and six Mg atoms.