La2IrZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Ir(1), and one Zn(1) atom to form distorted corner-sharing OLa2ZnIr tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ir(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ir(1), and one Zn(1) atom.
La2IrZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.40 Å) and one longer (2.48 Å) La(1)-O(1) bond length. There are a spread of La(1)-O(2) bond distances ranging from 2.42-2.79 Å. There are a spread of La(1)-O(3) bond distances ranging from 2.43-2.81 Å. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. Both Ir(1)-O(1) bond lengths are 2.04 Å. Both Ir(1)-O(2) bond lengths are 2.06 Å. Both Ir(1)-O(3) bond lengths are 2.04 Å. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. Both Zn(1)-O(1) bond lengths are 2.10 Å. Both Zn(1)-O(2) bond lengths are 2.13 Å. Both Zn(1)-O(3) bond lengths are 2.16 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Ir(1), and one Zn(1) atom to form distorted corner-sharing OLa2ZnIr tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ir(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ir(1), and one Zn(1) atom.