Nd3(Ni3Si)2 crystallizes in the cubic Im-3m space group. Nd(1) is bonded in a 12-coordinate geometry to eight equivalent Ni(1) and four equivalent Si(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), four equivalent Ni(1), and two equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nd(1) and six equivalent Ni(1) atoms to form a mixture of face and corner-sharing SiNd6Ni6 cuboctahedra.
Nd3(Ni3Si)2 crystallizes in the cubic Im-3m space group. Nd(1) is bonded in a 12-coordinate geometry to eight equivalent Ni(1) and four equivalent Si(1) atoms. There are four shorter (2.87 Å) and four longer (2.98 Å) Nd(1)-Ni(1) bond lengths. All Nd(1)-Si(1) bond lengths are 3.17 Å. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), four equivalent Ni(1), and two equivalent Si(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.58 Å. Both Ni(1)-Si(1) bond lengths are 2.45 Å. Si(1) is bonded to six equivalent Nd(1) and six equivalent Ni(1) atoms to form a mixture of face and corner-sharing SiNd6Ni6 cuboctahedra.