NaLaTiO4 crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. La(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Ti(1) atom. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form a mixture of distorted edge and corner-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms.
NaLaTiO4 crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. There is one shorter (2.31 Å) and four longer (2.68 Å) Na(1)-O(2) bond lengths. La(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. All La(1)-O(3) bond lengths are 2.55 Å. There is one shorter (2.36 Å) and four longer (2.73 Å) La(1)-O(1) bond lengths. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. The Ti(1)-O(1) bond length is 2.72 Å. The Ti(1)-O(2) bond length is 1.76 Å. All Ti(1)-O(3) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Ti(1) atom. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form a mixture of distorted edge and corner-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms.