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Ta2CrRe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2CrRe ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Cr and one Re atom. The Ta–Cr bond length is 2.64 Å. The Ta–Re bond length is 2.30 Å. Cr is bonded in a linear geometry to two equivalent Ta atoms. Re is bonded in a linear geometry to two equivalent Ta atoms.
Ta2CrRe 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 Cr and four equivalent Re atoms. All Ta–Cr bond lengths are 2.74 Å. All Ta–Re bond lengths are 2.74 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Ta atoms. Re is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.