Materials Data on Mg2CoB2Ir5 by Materials Project

Abstract

Mg2Ir5CoB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and one B atom. There are a spread of Mg–Ir bond distances ranging from 2.77–2.93 Å. The Mg–B bond length is 2.63 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Co, and two equivalent B atoms. Both Ir–Co bond lengths are 2.58 Å. Both Ir–B bond lengths are 2.15 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. B is bonded in a 7-coordinate geometry to one Mg and six Ir atoms.