Materials Data on Si2Ir3 by Materials Project

Abstract

Ir3Si2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to six equivalent Ir and five Si atoms. All Ir–Ir bond lengths are 2.75 Å. There are three shorter (2.33 Å) and two longer (2.72 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded in a 11-coordinate geometry to five Ir and six Si atoms. There are one shorter (2.54 Å) and one longer (2.91 Å) Ir–Ir bond lengths. There are three shorter (2.65 Å) and three longer (2.75 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to nine Ir atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to eight Ir atoms.