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IrMn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded to eight equivalent Ir atoms to form a mixture of distorted edge, face, and corner-sharing MnIr8 cuboctahedra. All Mn–Ir bond lengths are 2.63 Å. Ir is bonded to eight equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing IrMn8 cuboctahedra.
Mn3Ir is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to eight equivalent Mn and four equivalent Ir atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.74 Å. There are two shorter (2.57 Å) and two longer (2.59 Å) Mn–Ir bond lengths. Ir is bonded to twelve equivalent Mn atoms to form a mixture of face and corner-sharing IrMn12 cuboctahedra.
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.