Materials Data on MnIr3 by Materials Project

Abstract

MnIr3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Ir atoms to form MnIr12 cuboctahedra that share corners with six equivalent MnIr12 cuboctahedra, corners with twelve equivalent IrMn4Ir8 cuboctahedra, edges with eighteen equivalent IrMn4Ir8 cuboctahedra, faces with eight equivalent MnIr12 cuboctahedra, and faces with twelve equivalent IrMn4Ir8 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.73 Å) Mn–Ir bond lengths. Ir is bonded to four equivalent Mn and eight equivalent Ir atoms to form distorted IrMn4Ir8 cuboctahedra that share corners with four equivalent MnIr12 cuboctahedra, corners with fourteen equivalent IrMn4Ir8 cuboctahedra, edges with six equivalent MnIr12 cuboctahedra, edges with twelve equivalent IrMn4Ir8 cuboctahedra, faces with four equivalent MnIr12 cuboctahedra, and faces with sixteen equivalent IrMn4Ir8 cuboctahedra. There are six shorter (2.69 Å) and two longer (2.76 Å) Ir–Ir bond lengths.