NaMgTi3O7F crystallizes in the orthorhombic Pmc2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(4), one O(7), and two equivalent O(1) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(7), and two equivalent F(1) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(4), and one F(1) atom to form distorted TiO4F trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(6) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(7), and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Ti(1), and one Ti(2) atom to form corner-sharing ONa2Ti2 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(3) and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Mg(1), and one Ti(3) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(1) atom.
NaMgTi3O7F crystallizes in the orthorhombic Pmc2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(4), one O(7), and two equivalent O(1) atoms. The Na(1)-O(4) bond length is 2.49 Å. The Na(1)-O(7) bond length is 2.20 Å. Both Na(1)-O(1) bond lengths are 2.27 Å. Mg(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(7), and two equivalent F(1) atoms. The Mg(1)-O(4) bond length is 2.21 Å. The Mg(1)-O(5) bond length is 1.93 Å. The Mg(1)-O(7) bond length is 1.94 Å. Both Mg(1)-F(1) bond lengths are 1.97 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(4), and one F(1) atom to form distorted TiO4F trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. The Ti(1)-O(1) bond length is 1.82 Å. The Ti(1)-O(3) bond length is 1.84 Å. Both Ti(1)-O(4) bond lengths are 1.95 Å. The Ti(1)-F(1) bond length is 2.05 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(6) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. The Ti(2)-O(1) bond length is 2.02 Å. The Ti(2)-O(2) bond length is 1.89 Å. The Ti(2)-O(3) bond length is 1.85 Å. Both Ti(2)-O(6) bond lengths are 1.94 Å. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(7), and two equivalent O(2) atoms. The Ti(3)-O(5) bond length is 1.74 Å. The Ti(3)-O(6) bond length is 2.20 Å. The Ti(3)-O(7) bond length is 1.78 Å. Both Ti(3)-O(2) bond lengths are 2.02 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Ti(1), and one Ti(2) atom to form corner-sharing ONa2Ti2 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(3) and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Mg(1), and one Ti(3) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(1) atom.