Materials Data on SiIr2 by Materials Project

Abstract

Ir2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ir and five equivalent Si atoms to form a mixture of distorted corner and face-sharing IrSi5Ir6 trigonal bipyramids. All Ir–Ir bond lengths are 2.79 Å. There are three shorter (2.42 Å) and two longer (2.75 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded in a 6-coordinate geometry to eight Ir and six equivalent Si atoms. Both Ir–Ir bond lengths are 2.75 Å. All Ir–Si bond lengths are 2.79 Å. Si is bonded in a 11-coordinate geometry to eleven Ir atoms.