Materials Data on MgIn2 by Materials Project

Abstract

MgIn2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Mg–In bond distances ranging from 3.22–3.33 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Mg–In bond distances ranging from 3.20–3.35 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent In atoms. Both In–In bond lengths are 3.22 Å. In the second In site, In is bonded in a 12-coordinate geometry to four equivalent Mg and six In atoms. There are two shorter (3.23 Å) and two longer (3.25 Å) In–In bond lengths. In the third In site, In is bonded in a 12-coordinate geometry to six Mg and two equivalent In atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to four Mg and two equivalent In atoms.