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ThAu2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded to twelve equivalent Au atoms to form a mixture of face and edge-sharing ThAu12 cuboctahedra. All Th–Au bond lengths are 3.27 Å. Au is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Au atoms. All Au–Au bond lengths are 2.78 Å.
ThAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Au atoms to form a mixture of face and corner-sharing ThAu12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.27 Å) Th–Au bond lengths. Au is bonded in a 4-coordinate geometry to four equivalent Th atoms.
Th3Au4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to nine Au atoms. There are a spread of Th–Au bond distances ranging from 3.03–3.42 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded to six equivalent Th atoms to form distorted face-sharing AuTh6 octahedra. In the second Au site, Au is bonded to six equivalent Th atoms to form distorted face-sharing AuTh6 octahedra. In the third Au site, Au is bonded in a 7-coordinate geometry to seven equivalent Th and three equivalent Au atoms. There are one shorter (3.04 Å) and two longer (3.18 Å) Au–Au bond lengths.
ThAu crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Th–Au bond distances ranging from 3.12–3.32 Å. Au is bonded in a 9-coordinate geometry to seven equivalent Th and two equivalent Au atoms. Both Au–Au bond lengths are 2.93 Å.
ThAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to fourteen Au atoms. There are eight shorter (3.06 Å) and six longer (3.54 Å) Th–Au bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Th and four equivalent Au atoms to form a mixture of distorted edge, corner, and face-sharing AuTh4Au4 tetrahedra. All Au–Au bond lengths are 3.06 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Au atoms.