Ni3Nb2Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), nine equivalent Ni(1), and three equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Nb(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiNb6Si2Ni4 cuboctahedra that share corners with four equivalent Si(1)Nb6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, faces with six equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra. Si(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form SiNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Si(1)Nb6Ni6 cuboctahedra, faces with two equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra.
Ni3Nb2Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), nine equivalent Ni(1), and three equivalent Si(1) atoms. There is one shorter (2.93 Å) and three longer (2.96 Å) Nb(1)-Nb(1) bond lengths. There are three shorter (2.76 Å) and six longer (2.84 Å) Nb(1)-Ni(1) bond lengths. All Nb(1)-Si(1) bond lengths are 2.85 Å. Ni(1) is bonded to six equivalent Nb(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiNb6Si2Ni4 cuboctahedra that share corners with four equivalent Si(1)Nb6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, faces with six equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra. There are two shorter (2.40 Å) and two longer (2.47 Å) Ni(1)-Ni(1) bond lengths. Both Ni(1)-Si(1) bond lengths are 2.40 Å. Si(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form SiNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Si(1)Nb6Ni6 cuboctahedra, faces with two equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra.