Materials Data on MgIr2 by Materials Project

Abstract

MgIr2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ir atoms. There are six shorter (3.02 Å) and six longer (3.07 Å) Mg–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Mg and six equivalent Ir atoms to form a mixture of corner, edge, and face-sharing IrMg6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.62 Å. In the second Ir site, Ir is bonded to six equivalent Mg and six Ir atoms to form a mixture of corner, edge, and face-sharing IrMg6Ir6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.69 Å) Ir–Ir bond lengths.