Ca2MnIrO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Mn(1), and one Ir(1) atom to form distorted corner-sharing OCa2MnIr tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Mn(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Mn(1), and one Ir(1) atom.
Ca2MnIrO6 crystallizes in the monoclinic P2_1/c space group. Ca(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 (2.32 Å) and one longer (2.39 Å) Ca(1)-O(1) bond length. There are a spread of Ca(1)-O(2) bond distances ranging from 2.35-2.74 Å. There are a spread of Ca(1)-O(3) bond distances ranging from 2.35-2.72 Å. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Both Mn(1)-O(1) bond lengths are 2.07 Å. Both Mn(1)-O(2) bond lengths are 2.12 Å. Both Mn(1)-O(3) bond lengths are 2.12 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Both Ir(1)-O(1) bond lengths are 1.97 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 Ca(1), one Mn(1), and one Ir(1) atom to form distorted corner-sharing OCa2MnIr tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Mn(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Mn(1), and one Ir(1) atom.