NiTiO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(16), one O(2), one O(3), one O(5), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. In the second Ti site, Ti(2) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(15), one O(17), one O(18), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(13), one O(15), one O(17), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(14), one O(16), one O(18), one O(3), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(14), one O(16), one O(3), one O(5), and one O(7) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the second Ni site, Ni(2) is bonded to one O(11), one O(13), one O(4), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(12), one O(14), one O(15), one O(17), and one O(18) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(11), one O(13), one O(15), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the sixth Ni site, Ni(6) is bonded to one O(12), one O(14), one O(16), one O(17), one O(18), and one O(3) atom to form NiO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Ni(1), and one Ni(3) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing OTi3Ni trigonal pyramids. In the third O site, O(3) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with three equivalent O(5)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(12)Ti2Ni2 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(4), one Ni(2), and one Ni(3) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(3) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(9)Ti2Ni2 trigonal pyramid, corners with three equivalent O(3)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Ti(2), one Ti(5), one Ni(2), and one Ni(5) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(10)Ti2Ni2 trigonal pyramids, corners with two equivalent O(9)Ti2Ni2 trigonal pyramids, corners with three equivalent O(11)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid, and edges with two equivalent O(13)Ti2Ni2 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Ti(4), one Ni(1), and one Ni(3) atom. In the eighth O site, O(8) is bonded to one Ti(3), one Ti(5), one Ni(2), and one Ni(5) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Ti(2), one Ti(4), one Ni(2), and one Ni(3) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(13)Ti2Ni2 trigonal pyramids, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids, corners with three equivalent O(11)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(3), one Ti(5), one Ni(4), and one Ni(5) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Ti(2), one Ti(4), one Ni(2), and one Ni(5) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(13)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid, corners with three equivalent O(6)Ti2Ni2 trigonal pyramids, corners with three equivalent O(9)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(13)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(3), one Ti(6), one Ni(4), and one Ni(6) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Ti(2), one Ti(5), one Ni(2), and one Ni(5) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(11)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(10)Ti2Ni2 trigonal pyramids, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids, corners with two equivalent O(9)Ti2Ni2 trigonal pyramids, corners with three equivalent O(8)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(11)Ti2Ni2 trigonal pyramid, and edges with two equivalent O(6)Ti2Ni2 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ni(1), one Ni(4), and one Ni(6) atom. In the fifteenth O site, O(15) is bonded to one Ti(3), one Ti(5), one Ni(4), and one Ni(5) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom. In the seventeenth O site, O(17) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(5), one Ni(4), and one Ni(6) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Ti(6), one Ni(4), and one Ni(6) atom.
NiTiO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(16), one O(2), one O(3), one O(5), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. The Ti(1)-O(1) bond length is 1.88 Å. The Ti(1)-O(16) bond length is 1.97 Å. The Ti(1)-O(2) bond length is 2.03 Å. The Ti(1)-O(3) bond length is 1.84 Å. The Ti(1)-O(5) bond length is 2.08 Å. The Ti(1)-O(7) bond length is 2.14 Å. In the second Ti site, Ti(2) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. The Ti(2)-O(11) bond length is 2.09 Å. The Ti(2)-O(13) bond length is 2.04 Å. The Ti(2)-O(2) bond length is 1.95 Å. The Ti(2)-O(4) bond length is 2.13 Å. The Ti(2)-O(6) bond length is 1.86 Å. The Ti(2)-O(9) bond length is 1.87 Å. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(15), one O(17), one O(18), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. The Ti(3)-O(10) bond length is 2.12 Å. The Ti(3)-O(12) bond length is 1.87 Å. The Ti(3)-O(15) bond length is 1.88 Å. The Ti(3)-O(17) bond length is 2.08 Å. The Ti(3)-O(18) bond length is 2.10 Å. The Ti(3)-O(8) bond length is 1.88 Å. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Ti(4)-O(1) bond length is 2.09 Å. The Ti(4)-O(11) bond length is 1.88 Å. The Ti(4)-O(2) bond length is 2.14 Å. The Ti(4)-O(4) bond length is 1.86 Å. The Ti(4)-O(7) bond length is 1.85 Å. The Ti(4)-O(9) bond length is 2.13 Å. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(13), one O(15), one O(17), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. The Ti(5)-O(10) bond length is 1.86 Å. The Ti(5)-O(13) bond length is 1.90 Å. The Ti(5)-O(15) bond length is 2.07 Å. The Ti(5)-O(17) bond length is 1.86 Å. The Ti(5)-O(6) bond length is 2.12 Å. The Ti(5)-O(8) bond length is 2.10 Å. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(14), one O(16), one O(18), one O(3), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. The Ti(6)-O(12) bond length is 2.11 Å. The Ti(6)-O(14) bond length is 1.94 Å. The Ti(6)-O(16) bond length is 1.98 Å. The Ti(6)-O(18) bond length is 1.87 Å. The Ti(6)-O(3) bond length is 2.16 Å. The Ti(6)-O(5) bond length is 1.88 Å. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(14), one O(16), one O(3), one O(5), and one O(7) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. The Ni(1)-O(1) bond length is 2.03 Å. The Ni(1)-O(14) bond length is 1.98 Å. The Ni(1)-O(16) bond length is 2.09 Å. The Ni(1)-O(3) bond length is 2.00 Å. The Ni(1)-O(5) bond length is 2.10 Å. The Ni(1)-O(7) bond length is 2.11 Å. In the second Ni site, Ni(2) is bonded to one O(11), one O(13), one O(4), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. The Ni(2)-O(11) bond length is 2.10 Å. The Ni(2)-O(13) bond length is 2.09 Å. The Ni(2)-O(4) bond length is 2.08 Å. The Ni(2)-O(6) bond length is 2.03 Å. The Ni(2)-O(8) bond length is 2.02 Å. The Ni(2)-O(9) bond length is 2.02 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The Ni(3)-O(1) bond length is 2.08 Å. The Ni(3)-O(2) bond length is 2.11 Å. The Ni(3)-O(4) bond length is 2.03 Å. The Ni(3)-O(5) bond length is 2.00 Å. The Ni(3)-O(7) bond length is 2.01 Å. The Ni(3)-O(9) bond length is 2.07 Å. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(12), one O(14), one O(15), one O(17), and one O(18) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. The Ni(4)-O(10) bond length is 2.10 Å. The Ni(4)-O(12) bond length is 2.02 Å. The Ni(4)-O(14) bond length is 1.97 Å. The Ni(4)-O(15) bond length is 2.05 Å. The Ni(4)-O(17) bond length is 2.10 Å. The Ni(4)-O(18) bond length is 2.10 Å. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(11), one O(13), one O(15), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. The Ni(5)-O(10) bond length is 2.03 Å. The Ni(5)-O(11) bond length is 2.04 Å. The Ni(5)-O(13) bond length is 2.04 Å. The Ni(5)-O(15) bond length is 2.08 Å. The Ni(5)-O(6) bond length is 2.10 Å. The Ni(5)-O(8) bond length is 2.09 Å. In the sixth Ni site, Ni(6) is bonded to one O(12), one O(14), one O(16), one O(17), one O(18), and one O(3) atom to form NiO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. The Ni(6)-O(12) bond length is 2.12 Å. The Ni(6)-O(14) bond length is 2.04 Å. The Ni(6)-O(16) bond length is 2.05 Å. The Ni(6)-O(17) bond length is 2.03 Å. The Ni(6)-O(18) bond length is 2.05 Å. The Ni(6)-O(3) bond length is 2.09 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Ni(1), and one Ni(3) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing OTi3Ni trigonal pyramids. In the third O site, O(3) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with three equivalent O(5)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(12)Ti2Ni2 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(4), one Ni(2), and one Ni(3) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(3) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(9)Ti2Ni2 trigonal pyramid, corners with three equivalent O(3)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Ti(2), one Ti(5), one Ni(2), and one Ni(5) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(10)Ti2Ni2 trigonal pyramids, corners with two equivalent O(9)Ti2Ni2 trigonal pyramids, corners with three equivalent O(11)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid, and edges with two equivalent O(13)Ti2Ni2 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Ti(4), one Ni(1), and one Ni(3) atom. In the eighth O site, O(8) is bonded to one Ti(3), one Ti(5), one Ni(2), and one Ni(5) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Ti(2), one Ti(4), one Ni(2), and one Ni(3) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(13)Ti2Ni2 trigonal pyramids, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids, corners with three equivalent O(11)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(3), one Ti(5), one Ni(4), and one Ni(5) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Ti(2), one Ti(4), one Ni(2), and one Ni(5) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(13)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid, corners with three equivalent O(6)Ti2Ni2 trigonal pyramids, corners with three equivalent O(9)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(13)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(3), one Ti(6), one Ni(4), and one Ni(6) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Ti(2), one Ti(5), one Ni(2), and one Ni(5) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(11)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(10)Ti2Ni2 trigonal pyramids, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids, corners with two equivalent O(9)Ti2Ni2 trigonal pyramids, corners with three equivalent O(8)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(11)Ti2Ni2 trigonal pyramid, and edges with two equivalent O(6)Ti2Ni2 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ni(1), one Ni(4), and one Ni(6) atom. In the fifteenth O site, O(15) is bonded to one Ti(3), one Ti(5), one Ni(4), and one Ni(5) atom to form a mixture of distorted corner and edge-sharing OTi2Ni2 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom. In the seventeenth O site, O(17) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(5), one Ni(4), and one Ni(6) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Ti(6), one Ni(4), and one Ni(6) atom.