MgTiFe(PO4)3 crystallizes in the trigonal R3c space group. Mg(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. 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 Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(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 Fe(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.
MgTiFe(PO4)3 crystallizes in the trigonal R3c space group. Mg(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. All Mg(1)-O(2) bond lengths are 2.19 Å. All Mg(1)-O(3) bond lengths are 2.15 Å. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. All Ti(1)-O(2) bond lengths are 2.08 Å. All Ti(1)-O(4) bond lengths are 1.87 Å. Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. All Fe(1)-O(1) bond lengths are 1.93 Å. All Fe(1)-O(3) bond lengths are 2.08 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 Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. 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 1.54 Å. The P(1)-O(4) bond length is 1.56 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(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 Fe(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.