ZnTi2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Ti site, Ti(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Zn(1) is bonded in a distorted pentagonal planar geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) 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. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. 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 in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms.
ZnTi2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Ti(1)-O(4) bond length is 2.02 Å. Both Ti(1)-O(2) bond lengths are 2.02 Å. There is one shorter (2.05 Å) and two longer (2.07 Å) Ti(1)-O(3) bond lengths. In the second Ti site, Ti(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Ti(2)-O(2) bond length is 1.98 Å. Both Ti(2)-O(4) bond lengths are 2.00 Å. There is one shorter (2.07 Å) and two longer (2.09 Å) Ti(2)-O(1) bond lengths. Zn(1) is bonded in a distorted pentagonal planar geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Zn(1)-O(2) bond length is 2.52 Å. Both Zn(1)-O(1) bond lengths are 2.26 Å. Both Zn(1)-O(3) bond lengths are 2.28 Å. There are four inequivalent O sites. In the first O site, O(1) 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. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. 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 in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms.