Materials Data on Nb2Co3Si by Materials Project
Nb2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.87 Å) and three longer (2.95 Å) Nb–Nb bond lengths. There are three shorter (2.72 Å) and six longer (2.83 Å) Nb–Co bond lengths. All Nb–Si bond lengths are 2.85 Å. Co is bonded to six equivalent Nb, four equivalent Co, and two equivalent Si atoms to form CoNb6Co4Si2 cuboctahedra that share corners with four equivalent SiNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Co4Si2 cuboctahedra, edges with six equivalent CoNb6Co4Si2 cuboctahedra, faces with six equivalent SiNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Co4Si2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.48 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.37 Å. Si is bonded to six equivalent Nb and six equivalent Co atoms to form SiNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Co4Si2 cuboctahedra, edges with six equivalent SiNb6Co6 cuboctahedra, faces with two equivalent SiNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Co4Si2 cuboctahedra.