ZnTi2O4 crystallizes in the orthorhombic Imma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Ti(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded to one Ti(1), two equivalent Ti(2), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OTi3Zn2 square pyramids.
ZnTi2O4 crystallizes in the orthorhombic Imma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Ti(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Both Ti(1)-O(2) bond lengths are 2.04 Å. All Ti(1)-O(1) bond lengths are 2.03 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Both Ti(2)-O(1) bond lengths are 2.07 Å. All Ti(2)-O(2) bond lengths are 2.13 Å. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Both Zn(1)-O(1) bond lengths are 2.14 Å. All Zn(1)-O(2) bond lengths are 2.16 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded to one Ti(1), two equivalent Ti(2), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OTi3Zn2 square pyramids.