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Ta2TcOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2TcOs ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Tc and one Os atom. The Ta–Tc bond length is 2.23 Å. The Ta–Os bond length is 2.27 Å. Tc is bonded in a linear geometry to two equivalent Ta atoms. Os is bonded in a linear geometry to two equivalent Ta atoms.
Ta2TcOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Os atoms. All Ta–Tc bond lengths are 2.76 Å. All Ta–Os bond lengths are 2.76 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.