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HfTiRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfTiRu2 ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Ru atoms. Both Hf–Ru bond lengths are 2.30 Å. Ti is bonded in a linear geometry to two equivalent Ru atoms. Both Ti–Ru bond lengths are 2.12 Å. Ru is bonded in a linear geometry to one Hf and one Ti atom.
HfTiRu2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.78 Å. Ti is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ti–Ru bond lengths are 2.71 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ti atoms.