Mg2CrIrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 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 Cr(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 Cr(1), and one Ir(1) atom to form distorted corner-sharing OMg2CrIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Cr(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Cr(1), and one Ir(1) atom.
Mg2CrIrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.04 Å) and one longer (2.09 Å) Mg(1)-O(1) bond length. There are a spread of Mg(1)-O(2) bond distances ranging from 2.07-2.66 Å. There are a spread of Mg(1)-O(3) bond distances ranging from 2.06-2.68 Å. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. Both Cr(1)-O(1) bond lengths are 2.04 Å. Both Cr(1)-O(2) bond lengths are 1.99 Å. Both Cr(1)-O(3) bond lengths are 2.00 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. Both Ir(1)-O(1) bond lengths are 2.03 Å. Both Ir(1)-O(2) bond lengths are 1.97 Å. Both Ir(1)-O(3) bond lengths are 1.98 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Cr(1), and one Ir(1) atom to form distorted corner-sharing OMg2CrIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Cr(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Cr(1), and one Ir(1) atom.