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YAu2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YAu2Al ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Au atoms. Both Y–Au bond lengths are 2.92 Å. Au is bonded in a linear geometry to one Y and one Al atom. The Au–Al bond length is 2.52 Å. Al is bonded in a linear geometry to two equivalent Au atoms.
YAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Y–Au bond lengths are 2.96 Å. Au is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Al atoms. All Au–Al bond lengths are 2.96 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
YAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Y–Au bond distances ranging from 3.05–3.51 Å. There are a spread of Y–Al bond distances ranging from 3.14–3.36 Å. Au is bonded in a 9-coordinate geometry to six equivalent Y and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.64–2.78 Å. Al is bonded in a 4-coordinate geometry to six equivalent Y and four equivalent Au atoms.