Materials Data on Re3Si by Materials Project
Re3Si is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to eight equivalent Re and four equivalent Si atoms to form ReRe8Si4 cuboctahedra that share corners with four equivalent SiRe12 cuboctahedra, corners with fourteen equivalent ReRe8Si4 cuboctahedra, edges with six equivalent SiRe12 cuboctahedra, edges with twelve equivalent ReRe8Si4 cuboctahedra, faces with four equivalent SiRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Si4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.69–2.81 Å. There are two shorter (2.70 Å) and two longer (2.75 Å) Re–Si bond lengths. Si is bonded to twelve equivalent Re atoms to form SiRe12 cuboctahedra that share corners with six equivalent SiRe12 cuboctahedra, corners with twelve equivalent ReRe8Si4 cuboctahedra, edges with eighteen equivalent ReRe8Si4 cuboctahedra, faces with eight equivalent SiRe12 cuboctahedra, and faces with twelve equivalent ReRe8Si4 cuboctahedra.