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ThCl4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are four shorter (2.73 Å) and four longer (2.94 Å) Th–Cl bond lengths. Cl1- is bonded in a distorted water-like geometry to two equivalent Th4+ atoms.
ThCl4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are four shorter (2.79 Å) and four longer (2.86 Å) Th–Cl bond lengths. Cl1- is bonded in a water-like geometry to two equivalent Th4+ atoms.
Th3Cl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to four equivalent Cl atoms. All Th–Cl bond lengths are 3.51 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Cl atoms. All Th–Cl bond lengths are 3.39 Å. Cl is bonded to twelve Th atoms to form a mixture of corner, edge, and face-sharing ClTh12 cuboctahedra.
ThCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Cl atoms. There are one shorter (2.89 Å) and three longer (3.00 Å) Th–Cl bond lengths. Cl is bonded in a 4-coordinate geometry to four equivalent Th atoms.