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YbGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Ga atoms to form a mixture of face and edge-sharing YbGa12 cuboctahedra. All Yb–Ga bond lengths are 3.17 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.56 Å.
YbGa2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (2.97 Å) and six longer (3.34 Å) Yb–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Ga atoms. There are three shorter (2.66 Å) and one longer (2.94 Å) Ga–Ga bond lengths.
YbGa2(Ga)4 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of two Ga clusters and two YbGa2 clusters. In each Ga cluster, Ga is bonded in an L-shaped geometry to two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.58 Å. In each YbGa2 cluster, Yb is bonded in a linear geometry to two equivalent Ga atoms. Both Yb–Ga bond lengths are 3.39 Å. Ga is bonded in a single-bond geometry to one Yb atom.