ZnTi2O4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Ti(2)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(2) atom. In the third O site, O(3) is bonded to one Ti(2), two equivalent Ti(1), one Zn(1), and one Zn(2) atom to form a mixture of edge and corner-sharing OTi3Zn2 trigonal bipyramids.
ZnTi2O4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Ti(2)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The Ti(1)-O(1) bond length is 2.00 Å. The Ti(1)-O(2) bond length is 2.10 Å. There are two shorter (2.06 Å) and two longer (2.09 Å) Ti(1)-O(3) bond lengths. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. Both Ti(2)-O(1) bond lengths are 2.03 Å. Both Ti(2)-O(2) bond lengths are 2.03 Å. Both Ti(2)-O(3) bond lengths are 2.10 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Both Zn(1)-O(1) bond lengths are 2.05 Å. All Zn(1)-O(3) bond lengths are 2.24 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Both Zn(2)-O(2) bond lengths are 2.12 Å. All Zn(2)-O(3) bond lengths are 2.28 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(2) atom. In the third O site, O(3) is bonded to one Ti(2), two equivalent Ti(1), one Zn(1), and one Zn(2) atom to form a mixture of edge and corner-sharing OTi3Zn2 trigonal bipyramids.