Ni3(SbTe)2 crystallizes in the monoclinic Cm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(2), two equivalent Sb(1), one Te(1), and two equivalent Te(2) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(1), two equivalent Sb(2), one Te(2), and two equivalent Te(1) atoms. In the third Ni site, Ni(3) is bonded in a 8-coordinate geometry to one Ni(1), one Ni(2), one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms.
Ni3(SbTe)2 crystallizes in the monoclinic Cm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(2), two equivalent Sb(1), one Te(1), and two equivalent Te(2) atoms. The Ni(1)-Ni(3) bond length is 2.68 Å. The Ni(1)-Sb(2) bond length is 2.60 Å. Both Ni(1)-Sb(1) bond lengths are 2.56 Å. The Ni(1)-Te(1) bond length is 2.57 Å. Both Ni(1)-Te(2) bond lengths are 2.66 Å. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(1), two equivalent Sb(2), one Te(2), and two equivalent Te(1) atoms. The Ni(2)-Ni(3) bond length is 2.61 Å. The Ni(2)-Sb(1) bond length is 2.57 Å. Both Ni(2)-Sb(2) bond lengths are 2.65 Å. The Ni(2)-Te(2) bond length is 2.61 Å. Both Ni(2)-Te(1) bond lengths are 2.54 Å. In the third Ni site, Ni(3) is bonded in a 8-coordinate geometry to one Ni(1), one Ni(2), one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms. The Ni(3)-Sb(1) bond length is 2.65 Å. Both Ni(3)-Sb(2) bond lengths are 2.61 Å. The Ni(3)-Te(1) bond length is 2.70 Å. Both Ni(3)-Te(2) bond lengths are 2.64 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms.