Ni4Zn3(SbO6)2 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form ZnO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. Sb(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Zn(2) atom to form distorted OZnNi3 trigonal pyramids that share corners with two equivalent O(1)ZnNi3 trigonal pyramids and corners with three equivalent O(2)ZnNi2Sb trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ni(2), one Zn(2), and one Sb(1) atom to form distorted OZnNi2Sb trigonal pyramids that share corners with three equivalent O(1)ZnNi3 trigonal pyramids and  an edgeedge with one O(2)ZnNi2Sb trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Zn(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Zn(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), one Zn(2), and two equivalent Sb(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Zn(1), and one Sb(1) atom.
Ni4Zn3(SbO6)2 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 2.03 Å. Both Ni(1)-O(4) bond lengths are 2.14 Å. Both Ni(1)-O(6) bond lengths are 2.15 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The Ni(2)-O(1) bond length is 2.00 Å. The Ni(2)-O(3) bond length is 2.11 Å. The Ni(2)-O(5) bond length is 2.16 Å. The Ni(2)-O(6) bond length is 2.09 Å. There is one shorter (2.10 Å) and one longer (2.12 Å) Ni(2)-O(2) bond length. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. Both Ni(3)-O(1) bond lengths are 2.04 Å. Both Ni(3)-O(3) bond lengths are 2.11 Å. Both Ni(3)-O(4) bond lengths are 2.13 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form ZnO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. Both Zn(1)-O(3) bond lengths are 2.00 Å. Both Zn(1)-O(6) bond lengths are 2.00 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form ZnO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Zn(2)-O(1) bond length is 1.92 Å. The Zn(2)-O(2) bond length is 2.05 Å. The Zn(2)-O(4) bond length is 2.01 Å. The Zn(2)-O(5) bond length is 2.13 Å. Sb(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The Sb(1)-O(2) bond length is 2.00 Å. The Sb(1)-O(3) bond length is 2.00 Å. The Sb(1)-O(4) bond length is 1.99 Å. The Sb(1)-O(6) bond length is 1.99 Å. Both Sb(1)-O(5) bond lengths are 2.10 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Zn(2) atom to form distorted OZnNi3 trigonal pyramids that share corners with two equivalent O(1)ZnNi3 trigonal pyramids and corners with three equivalent O(2)ZnNi2Sb trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ni(2), one Zn(2), and one Sb(1) atom to form distorted OZnNi2Sb trigonal pyramids that share corners with three equivalent O(1)ZnNi3 trigonal pyramids and  an edgeedge with one O(2)ZnNi2Sb trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Zn(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Zn(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), one Zn(2), and two equivalent Sb(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Zn(1), and one Sb(1) atom.