TiZnBi(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 and  a faceface with one Zn(1)O6 octahedra. Zn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Ti(1)O6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) 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 Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Bi(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 Zn(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ti(1) and one P(1) atom.
TiZnBi(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 and  a faceface with one Zn(1)O6 octahedra. All Ti(1)-O(2) bond lengths are 2.14 Å. All Ti(1)-O(4) bond lengths are 1.93 Å. Zn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Ti(1)O6 octahedra. All Zn(1)-O(2) bond lengths are 2.14 Å. All Zn(1)-O(3) bond lengths are 2.19 Å. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. All Bi(1)-O(1) bond lengths are 2.29 Å. All Bi(1)-O(3) bond lengths are 2.30 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 Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-57°. The P(1)-O(1) bond length is 1.51 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.60 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Bi(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 Zn(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ti(1) and one P(1) atom.