Mg2IrCoO6 crystallizes in the monoclinic P2_1/c space group. Mg(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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ir(1), and one Co(1) atom to form distorted corner-sharing OMg2CoIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom.
Mg2IrCoO6 crystallizes in the monoclinic P2_1/c space group. Mg(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 (2.03 Å) and one longer (2.07 Å) Mg(1)-O(1) bond length. There are a spread of Mg(1)-O(2) bond distances ranging from 2.05-2.60 Å. There are a spread of Mg(1)-O(3) bond distances ranging from 2.05-2.66 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. Both Ir(1)-O(1) bond lengths are 2.02 Å. Both Ir(1)-O(2) bond lengths are 1.97 Å. Both Ir(1)-O(3) bond lengths are 1.98 Å. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. Both Co(1)-O(1) bond lengths are 1.97 Å. Both Co(1)-O(2) bond lengths are 1.93 Å. Both Co(1)-O(3) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ir(1), and one Co(1) atom to form distorted corner-sharing OMg2CoIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom.