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ThGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.47 Å.
ThGa2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. All Ga–Th bond lengths are 3.26 Å.