TiZnSnO4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. Zn(1) is bonded in a single-bond geometry to one O(2) atom. Sn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted SnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Ti(1) and three equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OTiSn3 trigonal pyramids.
TiZnSnO4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 2.09 Å. Both Ti(1)-O(2) bond lengths are 1.97 Å. Both Ti(1)-O(3) bond lengths are 2.09 Å. Zn(1) is bonded in a single-bond geometry to one O(2) atom. The Zn(1)-O(2) bond length is 1.94 Å. Sn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted SnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. The Sn(1)-O(3) bond length is 2.31 Å. Both Sn(1)-O(1) bond lengths are 2.14 Å. There are two shorter (2.19 Å) and one longer (2.20 Å) Sn(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Ti(1) and three equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OTiSn3 trigonal pyramids.