Mo2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded in a 16-coordinate geometry to four equivalent Mo(1), nine equivalent Ni(1), and three equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Mo(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiSi2Ni4Mo6 cuboctahedra that share corners with four equivalent Si(1)Ni6Mo6 cuboctahedra, corners with fourteen equivalent Ni(1)Si2Ni4Mo6 cuboctahedra, edges with six equivalent Ni(1)Si2Ni4Mo6 cuboctahedra, faces with six equivalent Si(1)Ni6Mo6 cuboctahedra, and faces with twelve equivalent Ni(1)Si2Ni4Mo6 cuboctahedra. Si(1) is bonded to six equivalent Mo(1) and six equivalent Ni(1) atoms to form SiNi6Mo6 cuboctahedra that share corners with twelve equivalent Ni(1)Si2Ni4Mo6 cuboctahedra, edges with six equivalent Si(1)Ni6Mo6 cuboctahedra, faces with two equivalent Si(1)Ni6Mo6 cuboctahedra, and faces with eighteen equivalent Ni(1)Si2Ni4Mo6 cuboctahedra.
Mo2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded in a 16-coordinate geometry to four equivalent Mo(1), nine equivalent Ni(1), and three equivalent Si(1) atoms. There is one shorter (2.74 Å) and three longer (2.90 Å) Mo(1)-Mo(1) bond lengths. There are three shorter (2.72 Å) and six longer (2.73 Å) Mo(1)-Ni(1) bond lengths. All Mo(1)-Si(1) bond lengths are 2.77 Å. Ni(1) is bonded to six equivalent Mo(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiSi2Ni4Mo6 cuboctahedra that share corners with four equivalent Si(1)Ni6Mo6 cuboctahedra, corners with fourteen equivalent Ni(1)Si2Ni4Mo6 cuboctahedra, edges with six equivalent Ni(1)Si2Ni4Mo6 cuboctahedra, faces with six equivalent Si(1)Ni6Mo6 cuboctahedra, and faces with twelve equivalent Ni(1)Si2Ni4Mo6 cuboctahedra. There are two shorter (2.32 Å) and two longer (2.41 Å) Ni(1)-Ni(1) bond lengths. Both Ni(1)-Si(1) bond lengths are 2.33 Å. Si(1) is bonded to six equivalent Mo(1) and six equivalent Ni(1) atoms to form SiNi6Mo6 cuboctahedra that share corners with twelve equivalent Ni(1)Si2Ni4Mo6 cuboctahedra, edges with six equivalent Si(1)Ni6Mo6 cuboctahedra, faces with two equivalent Si(1)Ni6Mo6 cuboctahedra, and faces with eighteen equivalent Ni(1)Si2Ni4Mo6 cuboctahedra.