Ni5(TeO6)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-54°. In the third Ni site, Ni(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form TeO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. 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, corners with four equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ni(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ni(2) and one Te(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ni(3) and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Ni(1) and one Te(1) atom. In the ninth O site, O(9) is bonded to one Ni(1), two equivalent Ni(2), and one Te(1) atom to form edge-sharing ONi3Te trigonal pyramids.
Ni5(TeO6)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Ni(1)-O(1) bond length is 1.92 Å. The Ni(1)-O(2) bond length is 2.02 Å. The Ni(1)-O(4) bond length is 2.00 Å. The Ni(1)-O(7) bond length is 1.94 Å. The Ni(1)-O(8) bond length is 1.91 Å. The Ni(1)-O(9) bond length is 1.99 Å. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-54°. The Ni(2)-O(2) bond length is 1.96 Å. The Ni(2)-O(3) bond length is 1.96 Å. The Ni(2)-O(5) bond length is 1.96 Å. The Ni(2)-O(7) bond length is 2.06 Å. There is one shorter (2.00 Å) and one longer (2.09 Å) Ni(2)-O(9) bond length. In the third Ni site, Ni(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Both Ni(3)-O(3) bond lengths are 2.01 Å. Both Ni(3)-O(4) bond lengths are 2.00 Å. Both Ni(3)-O(6) bond lengths are 1.88 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form TeO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. The Te(1)-O(1) bond length is 1.93 Å. The Te(1)-O(3) bond length is 1.94 Å. The Te(1)-O(5) bond length is 1.92 Å. The Te(1)-O(7) bond length is 2.00 Å. The Te(1)-O(8) bond length is 1.96 Å. The Te(1)-O(9) bond length is 2.07 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, corners with four equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Both Te(2)-O(2) bond lengths are 1.97 Å. Both Te(2)-O(4) bond lengths are 1.99 Å. Both Te(2)-O(6) bond lengths are 1.92 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ni(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Ni(2) and one Te(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ni(3) and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Ni(1) and one Te(1) atom. In the ninth O site, O(9) is bonded to one Ni(1), two equivalent Ni(2), and one Te(1) atom to form edge-sharing ONi3Te trigonal pyramids.