Nb3Co2Si crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Co(1) and two equivalent Si(1) atoms. Co(1) is bonded in a 12-coordinate geometry to six equivalent Nb(1), three equivalent Co(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nb(1) and six equivalent Co(1) atoms to form face-sharing SiNb6Co6 cuboctahedra.
Nb3Co2Si crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Co(1) and two equivalent Si(1) atoms. There are two shorter (2.68 Å) and two longer (2.75 Å) Nb(1)-Co(1) bond lengths. Both Nb(1)-Si(1) bond lengths are 2.77 Å. Co(1) is bonded in a 12-coordinate geometry to six equivalent Nb(1), three equivalent Co(1), and three equivalent Si(1) atoms. All Co(1)-Co(1) bond lengths are 2.61 Å. All Co(1)-Si(1) bond lengths are 2.42 Å. Si(1) is bonded to six equivalent Nb(1) and six equivalent Co(1) atoms to form face-sharing SiNb6Co6 cuboctahedra.