MgLa4Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share faces with two equivalent Ti(2)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Ti(2) atom.
MgLa4Ti3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share faces with two equivalent Ti(2)O6 octahedra. All Mg(1)-O(1) bond lengths are 2.07 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three shorter (2.40 Å) and three longer (2.73 Å) La(1)-O(1) bond lengths. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All La(2)-O(1) bond lengths are 2.55 Å. All La(2)-O(2) bond lengths are 2.46 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Ti(1)-O(2) bond lengths are 2.02 Å. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Ti(2)-O(1) bond lengths are 2.15 Å. All Ti(2)-O(2) bond lengths are 1.92 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Ti(2) atom.