Zn2Ti3O8 crystallizes in the cubic P4_332 space group. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent Ti(1)O6 octahedra. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Ti(1) and one Zn(1) atom to form distorted corner-sharing OTi3Zn trigonal pyramids. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom.
Zn2Ti3O8 crystallizes in the cubic P4_332 space group. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent Ti(1)O6 octahedra. Both Ti(1)-O(2) bond lengths are 2.06 Å. There are two shorter (1.87 Å) and two longer (1.99 Å) Ti(1)-O(1) bond lengths. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. The Zn(1)-O(2) bond length is 1.97 Å. All Zn(1)-O(1) bond lengths are 1.95 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Ti(1) and one Zn(1) atom to form distorted corner-sharing OTi3Zn trigonal pyramids. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom.