Materials Data on IrRh3 by Materials Project

Abstract

IrRh3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ir is bonded to twelve Rh atoms to form IrRh12 cuboctahedra that share corners with four equivalent IrRh12 cuboctahedra, corners with eight equivalent RhIr4Rh8 cuboctahedra, edges with eight equivalent IrRh12 cuboctahedra, edges with sixteen equivalent RhIr4Rh8 cuboctahedra, faces with four equivalent IrRh12 cuboctahedra, and faces with fourteen RhIr4Rh8 cuboctahedra. There are four shorter (2.72 Å) and eight longer (2.73 Å) Ir–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Ir and eight Rh atoms to form RhIr4Rh8 cuboctahedra that share corners with twelve equivalent RhIr4Rh8 cuboctahedra, edges with eight equivalent IrRh12 cuboctahedra, edges with sixteen RhIr4Rh8 cuboctahedra, faces with four equivalent IrRh12 cuboctahedra, and faces with fourteen RhIr4Rh8 cuboctahedra. There are four shorter (2.72 Å) and four longer (2.73 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to four equivalent Ir and eight equivalent Rh atoms to form RhIr4Rh8 cuboctahedra that share corners with four equivalent RhIr4Rh8 cuboctahedra, corners with eight equivalent IrRh12 cuboctahedra, edges with twenty-four RhIr4Rh8 cuboctahedra, faces with six equivalent IrRh12 cuboctahedra, and faces with twelve RhIr4Rh8 cuboctahedra.