Ni5(TeO6)2 crystallizes in the monoclinic C2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-21°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Te site, Te(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Ni(4), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ni(2), one Ni(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ni(2), one Ni(4), and one Te(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(2) atom.
Ni5(TeO6)2 crystallizes in the monoclinic C2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Both Ni(1)-O(2) bond lengths are 2.07 Å. Both Ni(1)-O(4) bond lengths are 2.03 Å. Both Ni(1)-O(6) bond lengths are 2.13 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-21°. The Ni(2)-O(1) bond length is 2.07 Å. The Ni(2)-O(2) bond length is 2.16 Å. The Ni(2)-O(3) bond length is 2.16 Å. The Ni(2)-O(4) bond length is 2.24 Å. The Ni(2)-O(5) bond length is 2.06 Å. The Ni(2)-O(6) bond length is 2.09 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Both Ni(3)-O(2) bond lengths are 2.07 Å. Both Ni(3)-O(4) bond lengths are 2.13 Å. Both Ni(3)-O(6) bond lengths are 2.04 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Both Ni(4)-O(1) bond lengths are 1.92 Å. Both Ni(4)-O(3) bond lengths are 2.00 Å. Both Ni(4)-O(5) bond lengths are 1.88 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Both Te(1)-O(1) bond lengths are 1.98 Å. Both Te(1)-O(3) bond lengths are 1.94 Å. Both Te(1)-O(5) bond lengths are 1.98 Å. In the second Te site, Te(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. Both Te(2)-O(2) bond lengths are 1.98 Å. Both Te(2)-O(4) bond lengths are 1.94 Å. Both Te(2)-O(6) bond lengths are 1.96 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Ni(4), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ni(2), one Ni(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ni(2), one Ni(4), and one Te(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(2) atom.