MgTi2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one O(7), and one F(2) atom to form distorted MgO4F trigonal bipyramids that share  a cornercorner with one Ti(1)O4F2 octahedra,  a cornercorner with one Ti(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O4F2 octahedra,  an edgeedge with one Ti(2)O4F2 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-47°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-47°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent Ti(2)O4F2 octahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-50°. In the second P site, P(2) 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)O4F2 octahedra, corners with two equivalent Ti(2)O4F2 octahedra, and  a cornercorner with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Ti(2) atom.
MgTi2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one O(7), and one F(2) atom to form distorted MgO4F trigonal bipyramids that share  a cornercorner with one Ti(1)O4F2 octahedra,  a cornercorner with one Ti(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O4F2 octahedra,  an edgeedge with one Ti(2)O4F2 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mg(1)-O(1) bond length is 2.06 Å. The Mg(1)-O(5) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.10 Å. The Mg(1)-O(7) bond length is 2.11 Å. The Mg(1)-F(2) bond length is 1.96 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-47°. The Ti(1)-O(1) bond length is 2.12 Å. The Ti(1)-O(2) bond length is 1.97 Å. The Ti(1)-O(5) bond length is 2.14 Å. The Ti(1)-O(8) bond length is 1.97 Å. The Ti(1)-F(1) bond length is 1.93 Å. The Ti(1)-F(2) bond length is 2.16 Å. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-47°. The Ti(2)-O(3) bond length is 1.98 Å. The Ti(2)-O(4) bond length is 1.91 Å. The Ti(2)-O(6) bond length is 2.18 Å. The Ti(2)-O(7) bond length is 2.10 Å. The Ti(2)-F(1) bond length is 1.94 Å. The Ti(2)-F(2) bond length is 2.13 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent Ti(2)O4F2 octahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-50°. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.53 Å. In the second P site, P(2) 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)O4F2 octahedra, corners with two equivalent Ti(2)O4F2 octahedra, and  a cornercorner with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-47°. The P(2)-O(1) bond length is 1.58 Å. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(3) bond length is 1.54 Å. The P(2)-O(4) bond length is 1.54 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Ti(2) atom.