Materials Data on MoIr by Materials Project

Abstract

IrMo is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mo is bonded to four equivalent Mo and eight equivalent Ir atoms to form MoMo4Ir8 cuboctahedra that share corners with eight equivalent IrMo8Ir4 cuboctahedra, corners with ten equivalent MoMo4Ir8 cuboctahedra, edges with six equivalent MoMo4Ir8 cuboctahedra, edges with twelve equivalent IrMo8Ir4 cuboctahedra, faces with eight equivalent IrMo8Ir4 cuboctahedra, and faces with twelve equivalent MoMo4Ir8 cuboctahedra. All Mo–Mo bond lengths are 2.78 Å. There are a spread of Mo–Ir bond distances ranging from 2.73–2.81 Å. Ir is bonded to eight equivalent Mo and four equivalent Ir atoms to form IrMo8Ir4 cuboctahedra that share corners with eight equivalent MoMo4Ir8 cuboctahedra, corners with ten equivalent IrMo8Ir4 cuboctahedra, edges with six equivalent IrMo8Ir4 cuboctahedra, edges with twelve equivalent MoMo4Ir8 cuboctahedra, faces with eight equivalent MoMo4Ir8 cuboctahedra, and faces with twelve equivalent IrMo8Ir4 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.80 Å) Ir–Ir bond lengths.