Materials Data on MoIr by Materials Project

Abstract

IrMo is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Ir atoms to form MoMo6Ir6 cuboctahedra that share corners with eighteen equivalent MoMo6Ir6 cuboctahedra, edges with six equivalent MoMo6Ir6 cuboctahedra, edges with twelve equivalent IrMo6Ir6 cuboctahedra, faces with eight equivalent MoMo6Ir6 cuboctahedra, and faces with twelve equivalent IrMo6Ir6 cuboctahedra. All Mo–Mo bond lengths are 2.79 Å. All Mo–Ir bond lengths are 2.76 Å. Ir is bonded to six equivalent Mo and six equivalent Ir atoms to form IrMo6Ir6 cuboctahedra that share corners with eighteen equivalent IrMo6Ir6 cuboctahedra, edges with six equivalent IrMo6Ir6 cuboctahedra, edges with twelve equivalent MoMo6Ir6 cuboctahedra, faces with eight equivalent IrMo6Ir6 cuboctahedra, and faces with twelve equivalent MoMo6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.79 Å.