TiZnPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Zn(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(2) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.
TiZnPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Both Ti(1)-O(2) bond lengths are 2.09 Å. Both Ti(1)-O(3) bond lengths are 2.12 Å. Both Ti(1)-O(5) bond lengths are 1.95 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Both Ti(2)-O(1) bond lengths are 2.12 Å. Both Ti(2)-O(4) bond lengths are 2.12 Å. Both Ti(2)-O(5) bond lengths are 1.95 Å. Zn(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. The Zn(1)-O(3) bond length is 2.10 Å. The Zn(1)-O(4) bond length is 2.10 Å. The Zn(1)-O(5) bond length is 1.90 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.58 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(2) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.