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Ac3Cl crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Ac3Cl ribbons oriented in the (0, 0, 1) direction. Ac is bonded in a water-like geometry to two equivalent Cl atoms. Both Ac–Cl bond lengths are 3.62 Å. Cl is bonded in a 12-coordinate geometry to six equivalent Ac atoms.
Ac3Cl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted square co-planar geometry to four equivalent Cl atoms. All Ac–Cl bond lengths are 3.86 Å. Cl is bonded to twelve equivalent Ac atoms to form a mixture of corner and face-sharing ClAc12 cuboctahedra.