ZnTi2O4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Ti site, Ti(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded to three equivalent Ti(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded to three equivalent Ti(2) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids.
ZnTi2O4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Ti(1)-O(2) bond length is 1.95 Å. Both Ti(1)-O(1) bond lengths are 1.96 Å. There are two shorter (2.03 Å) and one longer (2.07 Å) Ti(1)-O(3) bond length. In the second Ti site, Ti(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Ti(2)-O(1) bond length is 2.00 Å. Both Ti(2)-O(2) bond lengths are 1.99 Å. There is one shorter (2.00 Å) and two longer (2.08 Å) Ti(2)-O(4) bond lengths. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Zn(1)-O(3) bond lengths are 2.41 Å. Both Zn(1)-O(4) bond lengths are 2.36 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded to three equivalent Ti(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded to three equivalent Ti(2) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids.