Mg2FeIrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. 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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Fe(1), and one Ir(1) atom to form distorted corner-sharing OMg2FeIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Fe(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Fe(1), and one Ir(1) atom.
Mg2FeIrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. There is one shorter (2.05 Å) and one longer (2.11 Å) Mg(1)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.48 Å) Mg(1)-O(3) bond length. There are a spread of Mg(1)-O(2) bond distances ranging from 2.07-2.68 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. Both Fe(1)-O(1) bond lengths are 2.09 Å. Both Fe(1)-O(2) bond lengths are 1.99 Å. Both Fe(1)-O(3) bond lengths are 2.01 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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. Both Ir(1)-O(1) bond lengths are 2.02 Å. Both Ir(1)-O(2) bond lengths are 1.98 Å. Both Ir(1)-O(3) bond lengths are 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Fe(1), and one Ir(1) atom to form distorted corner-sharing OMg2FeIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Fe(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Fe(1), and one Ir(1) atom.