Materials Data on KMg6Zn by Materials Project

Abstract

KMg6Zn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight Mg and two equivalent Zn atoms. There are two shorter (3.41 Å) and six longer (3.53 Å) K–Mg bond lengths. Both K–Zn bond lengths are 3.23 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one K, four Mg, and one Zn atom. There are two shorter (3.13 Å) and two longer (3.16 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 2.96 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K, six Mg, and two equivalent Zn atoms. There are a spread of Mg–Mg bond distances ranging from 2.98–3.47 Å. Both Mg–Zn bond lengths are 3.08 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to four Mg atoms. Both Mg–Mg bond lengths are 3.19 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K and eight Mg atoms. Zn is bonded in a 8-coordinate geometry to two equivalent K and six Mg atoms.