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SrTl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Tl atoms to form a mixture of corner and face-sharing SrTl12 cuboctahedra. There are six shorter (3.54 Å) and six longer (3.64 Å) Sr–Tl bond lengths. Tl is bonded in a 4-coordinate geometry to four equivalent Sr atoms.
SrTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Tl atoms to form a mixture of face and corner-sharing SrTl12 cuboctahedra. All Sr–Tl bond lengths are 3.55 Å. Tl is bonded in a distorted square co-planar geometry to four equivalent Sr atoms.