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TiMnIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiMnIr2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Ir atoms. Both Ti–Ir bond lengths are 2.09 Å. Mn is bonded in a linear geometry to two equivalent Ir atoms. Both Mn–Ir bond lengths are 2.46 Å. Ir is bonded in a linear geometry to one Ti and one Mn atom.
TiMnIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.67 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.67 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Mn atoms.