Materials Data on Ge3Ir2S3 by Materials Project

Abstract

Ir2Ge3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Ge and three equivalent S atoms to form corner-sharing IrGe3S3 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. All Ir–Ge bond lengths are 2.52 Å. All Ir–S bond lengths are 2.33 Å. Ge is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Ge atoms. There are one shorter (2.44 Å) and one longer (2.86 Å) Ge–Ge bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.18 Å.