LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. La(1) is bonded in a 5-coordinate geometry to two equivalent N(1), one O(1), and two equivalent O(2) atoms. Ti(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. N(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms.
LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. La(1) is bonded in a 5-coordinate geometry to two equivalent N(1), one O(1), and two equivalent O(2) atoms. Both La(1)-N(1) bond lengths are 2.57 Å. The La(1)-O(1) bond length is 2.43 Å. Both La(1)-O(2) bond lengths are 2.52 Å. Ti(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. Both Ti(1)-N(1) bond lengths are 1.94 Å. Both Ti(1)-O(1) bond lengths are 2.01 Å. Both Ti(1)-O(2) bond lengths are 2.11 Å. N(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms.