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Ti3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted square co-planar geometry to four equivalent Au atoms. All Ti–Au bond lengths are 2.88 Å. Au is bonded to twelve equivalent Ti atoms to form a mixture of corner and face-sharing AuTi12 cuboctahedra.
Ti3Au crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Au atoms. Both Ti–Ti bond lengths are 2.56 Å. All Ti–Au bond lengths are 2.86 Å. Au is bonded to twelve equivalent Ti atoms to form a mixture of edge and face-sharing AuTi12 cuboctahedra.