Sr2LuIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. 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 Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Lu(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Lu(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Lu(1), and one Ir(1) atom.
Sr2LuIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There is one shorter (2.58 Å) and one longer (2.70 Å) Sr(1)-O(2) bond length. There are a spread of Sr(1)-O(1) bond distances ranging from 2.60-2.87 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.59-2.87 Å. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. Both Lu(1)-O(1) bond lengths are 2.17 Å. Both Lu(1)-O(2) bond lengths are 2.17 Å. Both Lu(1)-O(3) bond lengths are 2.17 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 Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. Both Ir(1)-O(1) bond lengths are 1.99 Å. Both Ir(1)-O(2) bond lengths are 1.99 Å. Both Ir(1)-O(3) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Lu(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Lu(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Lu(1), and one Ir(1) atom.