Materials Data on IrC4 by Materials Project

Abstract

IrC(C)3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two C sheets oriented in the (0, 0, 1) direction and two IrC sheets oriented in the (0, 0, 1) direction. In each C sheet, C1- is bonded in a trigonal planar geometry to three equivalent C1- atoms. All C–C bond lengths are 1.41 Å. In each IrC sheet, there are two inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded in a distorted hexagonal planar geometry to six equivalent C1- atoms. There are four shorter (2.53 Å) and two longer (2.56 Å) Ir–C bond lengths. In the second Ir4+ site, Ir4+ is bonded in a distorted hexagonal planar geometry to six equivalent C1- atoms. There are two shorter (2.53 Å) and four longer (2.54 Å) Ir–C bond lengths. C1- is bonded in a distorted single-bond geometry to six Ir4+ and one C1- atom. The C–C bond length is 1.34 Å.