ZnTiNb2O8 crystallizes in the monoclinic P2 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Nb(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(2), and one Zn(1) atom.
ZnTiNb2O8 crystallizes in the monoclinic P2 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Nb(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. Both Ti(1)-O(1) bond lengths are 2.05 Å. Both Ti(1)-O(3) bond lengths are 2.00 Å. Both Ti(1)-O(4) bond lengths are 1.91 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Nb(1)-O(1) bond lengths are 1.97 Å. Both Nb(1)-O(2) bond lengths are 1.90 Å. Both Nb(1)-O(3) bond lengths are 2.29 Å. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both Nb(2)-O(2) bond lengths are 2.18 Å. Both Nb(2)-O(3) bond lengths are 1.93 Å. Both Nb(2)-O(4) bond lengths are 1.99 Å. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. Both Zn(1)-O(1) bond lengths are 2.07 Å. Both Zn(1)-O(2) bond lengths are 2.06 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 trigonal planar geometry to one Ti(1), one Nb(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(2), and one Zn(1) atom.