Na2MgLa2Ti2O8 crystallizes in the tetragonal P-4m2 space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. Mg(1) is bonded to four equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(1) and four equivalent La(1) atoms. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form distorted ONa5Ti octahedra that share corners with four equivalent O(2)Na5Ti octahedra, corners with two equivalent O(3)La2Ti2 tetrahedra, corners with two equivalent O(4)La2Ti2 tetrahedra, and edges with eight equivalent O(2)Na5Ti octahedra. The corner-sharing octahedral tilt angles are 12°. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form OLa2Ti2 tetrahedra that share corners with two equivalent O(2)Na5Ti octahedra, corners with four equivalent O(3)La2Ti2 tetrahedra, and edges with four equivalent O(4)La2Ti2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth O site, O(4) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form OLa2Ti2 tetrahedra that share corners with two equivalent O(2)Na5Ti octahedra, corners with four equivalent O(4)La2Ti2 tetrahedra, and edges with four equivalent O(3)La2Ti2 tetrahedra. The corner-sharing octahedral tilt angles are 68°.
Na2MgLa2Ti2O8 crystallizes in the tetragonal P-4m2 space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. There is one shorter (2.33 Å) and four longer (2.66 Å) Na(1)-O(2) bond lengths. Mg(1) is bonded to four equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. All Mg(1)-O(1) bond lengths are 2.19 Å. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Both La(1)-O(3) bond lengths are 2.38 Å. Both La(1)-O(4) bond lengths are 2.37 Å. All La(1)-O(1) bond lengths are 2.98 Å. Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. The Ti(1)-O(2) bond length is 1.79 Å. Both Ti(1)-O(3) bond lengths are 2.01 Å. Both Ti(1)-O(4) bond lengths are 2.02 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(1) and four equivalent La(1) atoms. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form distorted ONa5Ti octahedra that share corners with four equivalent O(2)Na5Ti octahedra, corners with two equivalent O(3)La2Ti2 tetrahedra, corners with two equivalent O(4)La2Ti2 tetrahedra, and edges with eight equivalent O(2)Na5Ti octahedra. The corner-sharing octahedral tilt angles are 12°. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form OLa2Ti2 tetrahedra that share corners with two equivalent O(2)Na5Ti octahedra, corners with four equivalent O(3)La2Ti2 tetrahedra, and edges with four equivalent O(4)La2Ti2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth O site, O(4) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form OLa2Ti2 tetrahedra that share corners with two equivalent O(2)Na5Ti octahedra, corners with four equivalent O(4)La2Ti2 tetrahedra, and edges with four equivalent O(3)La2Ti2 tetrahedra. The corner-sharing octahedral tilt angles are 68°.