Ni3ZnSb2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Sb(1) atoms to form distorted edge-sharing NiSb6 octahedra. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to three equivalent Zn(1) and four equivalent Sb(1) atoms. Zn(1) is bonded in a 6-coordinate geometry to six equivalent Ni(2) atoms. Sb(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent Ni(2) atoms.
Ni3ZnSb2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Sb(1) atoms to form distorted edge-sharing NiSb6 octahedra. All Ni(1)-Sb(1) bond lengths are 2.71 Å. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to three equivalent Zn(1) and four equivalent Sb(1) atoms. All Ni(2)-Zn(1) bond lengths are 2.49 Å. There is one shorter (2.61 Å) and three longer (2.69 Å) Ni(2)-Sb(1) bond lengths. Zn(1) is bonded in a 6-coordinate geometry to six equivalent Ni(2) atoms. Sb(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent Ni(2) atoms.