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Fe2AlGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Fe2AlGe ribbons oriented in the (1, 0, 0) direction. Fe is bonded in a linear geometry to one Al and one Ge atom. The Fe–Al bond length is 2.40 Å. The Fe–Ge bond length is 2.30 Å. Al is bonded in a linear geometry to two equivalent Fe atoms. Ge is bonded in a linear geometry to two equivalent Fe atoms.
Fe2AlGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to four equivalent Al and four equivalent Ge atoms. All Fe–Al bond lengths are 2.48 Å. All Fe–Ge bond lengths are 2.48 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ge atoms. All Al–Ge bond lengths are 2.86 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Al atoms.