Sm2MgIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) 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 Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Sm(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Sm(1), and one Ir(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Sm(1), and one Ir(1) atom to form distorted corner-sharing OSm2MgIr trigonal pyramids.
Sm2MgIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. Both Mg(1)-O(1) bond lengths are 2.08 Å. Both Mg(1)-O(2) bond lengths are 2.09 Å. Both Mg(1)-O(3) bond lengths are 2.06 Å. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.32 Å) and one longer (2.39 Å) Sm(1)-O(3) bond length. There are a spread of Sm(1)-O(1) bond distances ranging from 2.36-2.75 Å. There are a spread of Sm(1)-O(2) bond distances ranging from 2.37-2.75 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 Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. Both Ir(1)-O(1) bond lengths are 2.06 Å. Both Ir(1)-O(2) bond lengths are 2.05 Å. Both Ir(1)-O(3) bond lengths are 2.03 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Sm(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Sm(1), and one Ir(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Sm(1), and one Ir(1) atom to form distorted corner-sharing OSm2MgIr trigonal pyramids.