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Hf2MnCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2MnCo ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Mn and one Co atom. The Hf–Mn bond length is 2.38 Å. The Hf–Co bond length is 2.22 Å. Mn is bonded in a linear geometry to two equivalent Hf atoms. Co is bonded in a linear geometry to two equivalent Hf atoms.
Hf2MnCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Co atoms. All Hf–Mn bond lengths are 2.73 Å. All Hf–Co bond lengths are 2.73 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.