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BaGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ga atoms to form a mixture of edge and face-sharing BaGa12 cuboctahedra. All Ba–Ga bond lengths are 3.64 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.59 Å.
Ba8Ga7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.55 Å) and three longer (3.57 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.59 Å) and three longer (3.64 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ba–Ga bond distances ranging from 3.42–3.70 Å. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ba–Ga bond distances ranging from 3.43–3.69 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ba and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ba and three Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to seven Ba and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å.
Ba10Ga crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted linear geometry to two equivalent Ga atoms. Both Ba–Ga bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Ba and one Ga atom. Both Ba–Ba bond lengths are 4.76 Å. The Ba–Ga bond length is 4.03 Å. In the third Ba site, Ba is bonded to twelve equivalent Ba atoms to form BaBa12 cuboctahedra that share edges with six equivalent BaBa12 cuboctahedra and edges with six equivalent GaBa12 cuboctahedra. Ga is bonded to twelve Ba atoms to form GaBa12 cuboctahedra that share corners with six equivalent GaBa12 cuboctahedra and edges with six equivalent BaBa12 cuboctahedra.
BaGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.52 Å) and eight longer (3.57 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ba and five Ga atoms. There are one shorter (2.64 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Ga atoms.