Materials Data on Co3SiMo2 by Materials Project
Co3Mo2Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded in a 12-coordinate geometry to four equivalent Mo, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.70 Å) and three longer (2.93 Å) Mo–Mo bond lengths. There are three shorter (2.70 Å) and six longer (2.74 Å) Mo–Co bond lengths. All Mo–Si bond lengths are 2.80 Å. Co is bonded to six equivalent Mo, four equivalent Co, and two equivalent Si atoms to form CoCo4Si2Mo6 cuboctahedra that share corners with four equivalent SiCo6Mo6 cuboctahedra, corners with fourteen equivalent CoCo4Si2Mo6 cuboctahedra, edges with six equivalent CoCo4Si2Mo6 cuboctahedra, faces with six equivalent SiCo6Mo6 cuboctahedra, and faces with twelve equivalent CoCo4Si2Mo6 cuboctahedra. There are two shorter (2.32 Å) and two longer (2.45 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.33 Å. Si is bonded to six equivalent Mo and six equivalent Co atoms to form SiCo6Mo6 cuboctahedra that share corners with twelve equivalent CoCo4Si2Mo6 cuboctahedra, edges with six equivalent SiCo6Mo6 cuboctahedra, faces with two equivalent SiCo6Mo6 cuboctahedra, and faces with eighteen equivalent CoCo4Si2Mo6 cuboctahedra.