Materials Data on Mg3Ir by Materials Project

Abstract

Mg3Ir crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Mg–Ir bond lengths. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.69 Å. In the third Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.66 Å. In the fourth Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Ir atoms. There are one shorter (2.74 Å) and two longer (2.83 Å) Mg–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight Mg atoms.