MgTiSb(PO4)3 crystallizes in the trigonal R3c space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. 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. Sb(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. The corner-sharing octahedral tilt angles range from 16-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(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.
MgTiSb(PO4)3 crystallizes in the trigonal R3c space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. All Mg(1)-O(2) bond lengths are 2.11 Å. All Mg(1)-O(3) bond lengths are 2.19 Å. 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 2.15 Å. All Ti(1)-O(4) bond lengths are 1.91 Å. Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. All Sb(1)-O(1) bond lengths are 2.25 Å. All Sb(1)-O(3) bond lengths are 2.19 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. The corner-sharing octahedral tilt angles range from 16-56°. 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 1.56 Å. The P(1)-O(4) bond length is 1.59 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 Sb(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(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.