ZnTi2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Ti(4)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(4)O4 tetrahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. In the third Ti site, Ti(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Ti(5)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(10) and three equivalent O(4) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the fifth Ti site, Ti(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Ti(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ti(5)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(6) and three equivalent O(11) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(9) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Zn site, Zn(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(4)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(5) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with six equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the fifth Zn site, Zn(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(6)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(5)O6 octahedra. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Zn(1), and one Zn(5) atom to form distorted OTi2Zn2 trigonal pyramids that share corners with two equivalent O(1)Ti2Zn2 trigonal pyramids, corners with three equivalent O(11)Ti3Zn trigonal pyramids,  an edgeedge with one O(2)Ti3Zn trigonal pyramid, and edges with two equivalent O(1)Ti2Zn2 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Ti(1) and one Zn(2) atom to form distorted edge-sharing OTi3Zn trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(2), one Zn(2), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(4), two equivalent Ti(1), and one Zn(3) atom. In the fifth O site, O(5) is bonded to three equivalent Ti(2) and one Zn(4) atom to form distorted corner-sharing OTi3Zn tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ti(6) and three equivalent Ti(1) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ti(3), two equivalent Ti(5), and one Zn(4) atom. In the eighth O site, O(8) is bonded to one Ti(3), two equivalent Ti(2), and one Zn(6) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(5) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ti(4) and three equivalent Ti(2) atoms. In the eleventh O site, O(11) is bonded to one Ti(6), two equivalent Ti(5), and one Zn(5) atom to form distorted OTi3Zn trigonal pyramids that share corners with two equivalent O(11)Ti3Zn trigonal pyramids, corners with three equivalent O(1)Ti2Zn2 trigonal pyramids,  an edgeedge with one O(12)Ti3Zn tetrahedra, and edges with two equivalent O(11)Ti3Zn trigonal pyramids. In the twelfth O site, O(12) is bonded to three equivalent Ti(5) and one Zn(6) atom to form a mixture of corner and edge-sharing OTi3Zn tetrahedra.
ZnTi2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Ti(4)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The Ti(1)-O(2) bond length is 2.14 Å. The Ti(1)-O(6) bond length is 2.15 Å. Both Ti(1)-O(1) bond lengths are 2.04 Å. Both Ti(1)-O(4) bond lengths are 2.09 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(4)O4 tetrahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The Ti(2)-O(10) bond length is 2.10 Å. The Ti(2)-O(5) bond length is 2.07 Å. Both Ti(2)-O(3) bond lengths are 2.05 Å. Both Ti(2)-O(8) bond lengths are 2.05 Å. In the third Ti site, Ti(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Ti(5)O6 octahedra. All Ti(3)-O(7) bond lengths are 2.02 Å. All Ti(3)-O(8) bond lengths are 2.12 Å. In the fourth Ti site, Ti(4) is bonded to one O(10) and three equivalent O(4) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. The Ti(4)-O(10) bond length is 1.89 Å. All Ti(4)-O(4) bond lengths are 1.88 Å. In the fifth Ti site, Ti(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Ti(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ti(5)O6 octahedra. The Ti(5)-O(12) bond length is 2.10 Å. The Ti(5)-O(9) bond length is 2.05 Å. Both Ti(5)-O(11) bond lengths are 2.16 Å. Both Ti(5)-O(7) bond lengths are 2.03 Å. In the sixth Ti site, Ti(6) is bonded to one O(6) and three equivalent O(11) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. The Ti(6)-O(6) bond length is 1.87 Å. All Ti(6)-O(11) bond lengths are 1.88 Å. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(9) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. The Zn(1)-O(9) bond length is 1.98 Å. All Zn(1)-O(1) bond lengths are 1.97 Å. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Zn(2)-O(2) bond length is 2.00 Å. All Zn(2)-O(3) bond lengths are 2.00 Å. In the third Zn site, Zn(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(4)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. All Zn(3)-O(3) bond lengths are 2.10 Å. All Zn(3)-O(4) bond lengths are 2.17 Å. In the fourth Zn site, Zn(4) is bonded to one O(5) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with six equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. The Zn(4)-O(5) bond length is 1.92 Å. All Zn(4)-O(7) bond lengths are 1.95 Å. In the fifth Zn site, Zn(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(6)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(5)O6 octahedra. All Zn(5)-O(1) bond lengths are 2.12 Å. All Zn(5)-O(11) bond lengths are 2.16 Å. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Zn(6)-O(12) bond length is 2.00 Å. All Zn(6)-O(8) bond lengths are 2.00 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Zn(1), and one Zn(5) atom to form distorted OTi2Zn2 trigonal pyramids that share corners with two equivalent O(1)Ti2Zn2 trigonal pyramids, corners with three equivalent O(11)Ti3Zn trigonal pyramids,  an edgeedge with one O(2)Ti3Zn trigonal pyramid, and edges with two equivalent O(1)Ti2Zn2 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Ti(1) and one Zn(2) atom to form distorted edge-sharing OTi3Zn trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(2), one Zn(2), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(4), two equivalent Ti(1), and one Zn(3) atom. In the fifth O site, O(5) is bonded to three equivalent Ti(2) and one Zn(4) atom to form distorted corner-sharing OTi3Zn tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ti(6) and three equivalent Ti(1) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ti(3), two equivalent Ti(5), and one Zn(4) atom. In the eighth O site, O(8) is bonded to one Ti(3), two equivalent Ti(2), and one Zn(6) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(5) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ti(4) and three equivalent Ti(2) atoms. In the eleventh O site, O(11) is bonded to one Ti(6), two equivalent Ti(5), and one Zn(5) atom to form distorted OTi3Zn trigonal pyramids that share corners with two equivalent O(11)Ti3Zn trigonal pyramids, corners with three equivalent O(1)Ti2Zn2 trigonal pyramids,  an edgeedge with one O(12)Ti3Zn tetrahedra, and edges with two equivalent O(11)Ti3Zn trigonal pyramids. In the twelfth O site, O(12) is bonded to three equivalent Ti(5) and one Zn(6) atom to form a mixture of corner and edge-sharing OTi3Zn tetrahedra.