Materials Data on MgIn3 by Materials Project

Abstract

MgIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent In atoms to form MgIn12 cuboctahedra that share corners with six equivalent MgIn12 cuboctahedra, corners with twelve equivalent InMg4In8 cuboctahedra, edges with eighteen equivalent InMg4In8 cuboctahedra, faces with eight equivalent MgIn12 cuboctahedra, and faces with twelve equivalent InMg4In8 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.37 Å) Mg–In bond lengths. In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with four equivalent MgIn12 cuboctahedra, corners with fourteen equivalent InMg4In8 cuboctahedra, edges with six equivalent MgIn12 cuboctahedra, edges with twelve equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with sixteen equivalent InMg4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.25–3.38 Å.