TiMoZn(PO4)3 crystallizes in the trigonal R3c space group. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Mo(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. 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 Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom.
TiMoZn(PO4)3 crystallizes in the trigonal R3c space group. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. All Ti(1)-O(2) bond lengths are 2.13 Å. All Ti(1)-O(4) bond lengths are 1.90 Å. Mo(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. All Mo(1)-O(1) bond lengths are 2.06 Å. All Mo(1)-O(3) bond lengths are 2.12 Å. Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. All Zn(1)-O(2) bond lengths are 2.16 Å. All Zn(1)-O(3) bond lengths are 2.28 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 Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.58 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom.