Materials Data on Ge3Ir2Se3 by Materials Project

Abstract

Ir2Ge3Se3 is Skutterudite-derived structured and crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Ge and three equivalent Se atoms to form corner-sharing IrGe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. All Ir–Ge bond lengths are 2.53 Å. All Ir–Se bond lengths are 2.45 Å. Ge is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Ge atoms. There are one shorter (2.47 Å) and one longer (2.99 Å) Ge–Ge bond lengths. Se is bonded in a distorted bent 120 degrees geometry to two equivalent Ir and two equivalent Se atoms. There are one shorter (2.61 Å) and one longer (2.82 Å) Se–Se bond lengths.