Materials Data on Mg3In by Materials Project

Abstract

Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two In atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.99 Å) and one longer (3.08 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and three In atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.07–3.47 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to nine Mg and one In atom. The In–In bond length is 2.92 Å. In the second In site, In is bonded in a 7-coordinate geometry to six Mg and one In atom.