Materials Data on IrC4 by Materials Project

Abstract

IrC4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ir4+ is bonded in a 8-coordinate geometry to eight C1- atoms. There are a spread of Ir–C bond distances ranging from 2.11–2.27 Å. There are three inequivalent C1- sites. In the first C1- site, C1- is bonded to two equivalent Ir4+ and two C1- atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. There is one shorter (1.50 Å) and one longer (1.51 Å) C–C bond length. In the second C1- site, C1- is bonded to two equivalent Ir4+ and two equivalent C1- atoms to form a mixture of distorted corner and edge-sharing CIr2C2 tetrahedra. In the third C1- site, C1- is bonded to two equivalent Ir4+ and two equivalent C1- atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra.