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RuSi2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Ru–Si bond lengths are 2.46 Å. Si is bonded to four equivalent Ru atoms to form a mixture of corner and edge-sharing SiRu4 tetrahedra.
RuSi2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Ru–Si bond lengths are 2.51 Å. Si is bonded in a 5-coordinate geometry to four equivalent Ru and one Si atom. The Si–Si bond length is 2.33 Å.