ThAuSi crystallizes in the hexagonal P-6m2 space group. Th(1) is bonded to six equivalent Au(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing ThSi6Au6 cuboctahedra. Au(1) is bonded in a distorted trigonal planar geometry to six equivalent Th(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Th(1) and three equivalent Au(1) atoms.
ThAuSi crystallizes in the hexagonal P-6m2 space group. Th(1) is bonded to six equivalent Au(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing ThSi6Au6 cuboctahedra. All Th(1)-Au(1) bond lengths are 3.25 Å. All Th(1)-Si(1) bond lengths are 3.25 Å. Au(1) is bonded in a distorted trigonal planar geometry to six equivalent Th(1) and three equivalent Si(1) atoms. All Au(1)-Si(1) bond lengths are 2.47 Å. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Th(1) and three equivalent Au(1) atoms.