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RuI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ru is bonded to four equivalent I atoms to form corner-sharing RuI4 tetrahedra. There are three shorter (2.56 Å) and one longer (2.64 Å) Ru–I bond lengths. I is bonded to four equivalent Ru atoms to form corner-sharing IRu4 tetrahedra.
Ru3I is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru is bonded to eight equivalent Ru and four equivalent I atoms to form distorted RuRu8I4 cuboctahedra that share corners with twelve equivalent RuRu8I4 cuboctahedra, edges with eight equivalent IRu12 cuboctahedra, edges with sixteen equivalent RuRu8I4 cuboctahedra, faces with four equivalent IRu12 cuboctahedra, and faces with fourteen equivalent RuRu8I4 cuboctahedra. All Ru–Ru bond lengths are 2.81 Å. All Ru–I bond lengths are 2.81 Å. I is bonded to twelve equivalent Ru atoms to form IRu12 cuboctahedra that share corners with twelve equivalent IRu12 cuboctahedra, edges with twenty-four equivalent RuRu8I4 cuboctahedra, faces with six equivalent IRu12 cuboctahedra, and faces with twelve equivalent RuRu8I4 cuboctahedra.