Ni3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Ni(3)O6 octahedra, edges with three equivalent Te(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Te(1)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-63°. In the third Ni site, Ni(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NiO6 octahedra that share corners with three equivalent Te(1)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with six equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(1) atom. In the second O site, O(2) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONi3Te trigonal pyramids.
Ni3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Ni(3)O6 octahedra, edges with three equivalent Te(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. All Ni(1)-O(1) bond lengths are 2.10 Å. All Ni(1)-O(2) bond lengths are 2.02 Å. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Te(1)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-63°. All Ni(2)-O(1) bond lengths are 2.15 Å. All Ni(2)-O(2) bond lengths are 2.01 Å. In the third Ni site, Ni(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NiO6 octahedra that share corners with three equivalent Te(1)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. All Ni(3)-O(1) bond lengths are 2.03 Å. All Ni(3)-O(2) bond lengths are 2.13 Å. Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with six equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. All Te(1)-O(1) bond lengths are 1.93 Å. All Te(1)-O(2) bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Te(1) atom. In the second O site, O(2) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONi3Te trigonal pyramids.