Ti3Ni3(TeO8)2 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second Te site, Te(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(2), one Ni(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Ni(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ni(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ni(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Te(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Ni(2) and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(2), one Ni(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ni(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to two equivalent Ni(2) and one Te(2) atom.
Ti3Ni3(TeO8)2 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. The Ti(1)-O(11) bond length is 2.02 Å. The Ti(1)-O(2) bond length is 2.05 Å. The Ti(1)-O(3) bond length is 1.90 Å. The Ti(1)-O(4) bond length is 1.89 Å. The Ti(1)-O(6) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 2.03 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. The Ti(2)-O(10) bond length is 2.08 Å. The Ti(2)-O(5) bond length is 1.89 Å. Both Ti(2)-O(1) bond lengths are 1.97 Å. Both Ti(2)-O(9) bond lengths are 2.00 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Ni(1)-O(3) bond length is 2.07 Å. The Ni(1)-O(4) bond length is 2.01 Å. Both Ni(1)-O(11) bond lengths are 2.08 Å. Both Ni(1)-O(6) bond lengths are 2.12 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Ni(2)-O(1) bond length is 2.18 Å. The Ni(2)-O(10) bond length is 1.87 Å. The Ni(2)-O(12) bond length is 2.00 Å. The Ni(2)-O(5) bond length is 1.91 Å. The Ni(2)-O(8) bond length is 1.99 Å. The Ni(2)-O(9) bond length is 2.13 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The Te(1)-O(2) bond length is 2.00 Å. The Te(1)-O(8) bond length is 1.93 Å. Both Te(1)-O(1) bond lengths are 1.95 Å. Both Te(1)-O(6) bond lengths are 1.96 Å. In the second Te site, Te(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Te(2)-O(12) bond length is 1.99 Å. The Te(2)-O(7) bond length is 2.00 Å. Both Te(2)-O(11) bond lengths are 1.92 Å. Both Te(2)-O(9) bond lengths are 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(2), one Ni(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Ni(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ni(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ni(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Te(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Ni(2) and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(2), one Ni(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ni(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to two equivalent Ni(2) and one Te(2) atom.