Materials Data on IrRu3 by Materials Project

Abstract

Ru3Ir is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to eight equivalent Ru and four equivalent Ir atoms to form RuIr4Ru8 cuboctahedra that share corners with four equivalent IrRu12 cuboctahedra, corners with fourteen equivalent RuIr4Ru8 cuboctahedra, edges with six equivalent IrRu12 cuboctahedra, edges with twelve equivalent RuIr4Ru8 cuboctahedra, faces with four equivalent IrRu12 cuboctahedra, and faces with sixteen equivalent RuIr4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.68–2.75 Å. There are two shorter (2.68 Å) and two longer (2.74 Å) Ru–Ir bond lengths. Ir is bonded to twelve equivalent Ru atoms to form IrRu12 cuboctahedra that share corners with six equivalent IrRu12 cuboctahedra, corners with twelve equivalent RuIr4Ru8 cuboctahedra, edges with eighteen equivalent RuIr4Ru8 cuboctahedra, faces with eight equivalent IrRu12 cuboctahedra, and faces with twelve equivalent RuIr4Ru8 cuboctahedra.