CaMnIrO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mn(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one Ir(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(1), and one Ir(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one Ir(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one Ir(1) atom.
CaMnIrO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.38 Å. The Ca(1)-O(4) bond length is 2.29 Å. The Ca(1)-O(5) bond length is 2.29 Å. The Ca(1)-O(6) bond length is 2.27 Å. There is one shorter (2.50 Å) and one longer (2.57 Å) Ca(1)-O(2) bond length. There is one shorter (2.48 Å) and one longer (2.60 Å) Ca(1)-O(3) bond length. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. The Mn(1)-O(1) bond length is 1.92 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(3) bond length is 1.93 Å. The Mn(1)-O(4) bond length is 1.92 Å. The Mn(1)-O(5) bond length is 1.88 Å. The Mn(1)-O(6) bond length is 1.93 Å. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. The Ir(1)-O(1) bond length is 1.94 Å. The Ir(1)-O(2) bond length is 1.95 Å. The Ir(1)-O(3) bond length is 1.96 Å. The Ir(1)-O(4) bond length is 1.92 Å. The Ir(1)-O(5) bond length is 1.93 Å. The Ir(1)-O(6) bond length is 1.94 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mn(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one Ir(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(1), and one Ir(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one Ir(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one Ir(1) atom.