Materials Data on CrIr3 by Materials Project

Abstract

Ir3Cr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Ir atoms to form CrIr12 cuboctahedra that share corners with six equivalent CrIr12 cuboctahedra, corners with twelve equivalent IrCr4Ir8 cuboctahedra, edges with eighteen equivalent IrCr4Ir8 cuboctahedra, faces with eight equivalent CrIr12 cuboctahedra, and faces with twelve equivalent IrCr4Ir8 cuboctahedra. There are six shorter (2.66 Å) and six longer (2.72 Å) Cr–Ir bond lengths. Ir is bonded to four equivalent Cr and eight equivalent Ir atoms to form distorted IrCr4Ir8 cuboctahedra that share corners with four equivalent CrIr12 cuboctahedra, corners with fourteen equivalent IrCr4Ir8 cuboctahedra, edges with six equivalent CrIr12 cuboctahedra, edges with twelve equivalent IrCr4Ir8 cuboctahedra, faces with four equivalent CrIr12 cuboctahedra, and faces with sixteen equivalent IrCr4Ir8 cuboctahedra. There are six shorter (2.68 Å) and two longer (2.76 Å) Ir–Ir bond lengths.