Materials Data on MgIn5 by Materials Project

Abstract

MgIn5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten In atoms. There are a spread of Mg–In bond distances ranging from 3.21–3.45 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and seven In atoms. There are a spread of In–In bond distances ranging from 3.18–3.30 Å. In the second In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and five In atoms. Both In–In bond lengths are 3.48 Å. In the third In site, In is bonded in a 12-coordinate geometry to one Mg and eleven In atoms. There are a spread of In–In bond distances ranging from 3.18–3.52 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and three equivalent In atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three equivalent Mg and four In atoms.