MgTiSn(PO4)3 crystallizes in the monoclinic Cc space group. Mg(1) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. Ti(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(5) 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(6), and one O(7) 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. In the third P site, P(3) is bonded to one O(11), one O(2), one O(8), and one O(9) 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(1) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(2) atom.
MgTiSn(PO4)3 crystallizes in the monoclinic Cc space group. Mg(1) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The Mg(1)-O(11) bond length is 2.15 Å. The Mg(1)-O(3) bond length is 2.15 Å. The Mg(1)-O(5) bond length is 2.27 Å. The Mg(1)-O(6) bond length is 2.14 Å. The Mg(1)-O(7) bond length is 2.28 Å. The Mg(1)-O(9) bond length is 2.28 Å. Ti(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The Ti(1)-O(10) bond length is 1.98 Å. The Ti(1)-O(11) bond length is 2.10 Å. The Ti(1)-O(12) bond length is 1.98 Å. The Ti(1)-O(3) bond length is 2.11 Å. The Ti(1)-O(6) bond length is 2.11 Å. The Ti(1)-O(8) bond length is 1.98 Å. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The Sn(1)-O(1) bond length is 2.02 Å. The Sn(1)-O(2) bond length is 2.02 Å. The Sn(1)-O(4) bond length is 2.02 Å. The Sn(1)-O(5) bond length is 2.11 Å. The Sn(1)-O(7) bond length is 2.11 Å. The Sn(1)-O(9) bond length is 2.11 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(5) 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. The P(1)-O(10) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(1), one O(12), one O(6), and one O(7) 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. The P(2)-O(1) bond length is 1.54 Å. The P(2)-O(12) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.58 Å. In the third P site, P(3) is bonded to one O(11), one O(2), one O(8), and one O(9) 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-50°. The P(3)-O(11) bond length is 1.56 Å. The P(3)-O(2) bond length is 1.54 Å. The P(3)-O(8) bond length is 1.52 Å. The P(3)-O(9) bond length is 1.58 Å. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(1) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Sn(1), and one P(2) atom.