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ThBr2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Th is bonded in a square co-planar geometry to four equivalent Br atoms. There are two shorter (2.90 Å) and two longer (2.94 Å) Th–Br bond lengths. Br is bonded in a water-like geometry to two equivalent Th atoms.
ThBr2 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight dibromothorium molecules. Th is bonded in a linear geometry to two equivalent Br atoms. Both Th–Br bond lengths are 2.70 Å. Br is bonded in a single-bond geometry to one Th atom.