Materials Data on Ge5Ir4 by Materials Project

Abstract

Ir4Ge5 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.68 Å. In the second Ir site, Ir is bonded to six Ge atoms to form distorted corner-sharing IrGe6 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are four shorter (2.48 Å) and two longer (2.60 Å) Ir–Ge bond lengths. In the third Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Ir–Ge bond lengths are 2.47 Å. In the fourth Ir site, Ir is bonded to six Ge atoms to form a mixture of distorted edge and corner-sharing IrGe6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Ir–Ge bond distances ranging from 2.45–2.56 Å. In the fifth Ir site, Ir is bonded to six Ge atoms to form a mixture of distorted edge and corner-sharing IrGe6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Ir–Ge bond distances ranging from 2.42–2.60 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Ir atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five Ir atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Ir atoms.