Materials Data on Cs(Mg4Al3)4 by Materials Project

Abstract

Cs(Mg4Al3)4 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Cs–Mg bond lengths are 3.37 Å. All Cs–Al bond lengths are 3.35 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.22 Å. There are a spread of Mg–Al bond distances ranging from 2.85–3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to one Cs, three equivalent Mg, and six equivalent Al atoms. All Mg–Al bond lengths are 3.28 Å. Al is bonded in a 11-coordinate geometry to one Cs, seven Mg, and three equivalent Al atoms. There are one shorter (2.84 Å) and two longer (2.87 Å) Al–Al bond lengths.