Ca3CuRhO6 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Rh(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Rh(1) atom to form a mixture of corner and edge-sharing OCa4Rh square pyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one Rh(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one Rh(1), and one Cu(1) atom.
Ca3CuRhO6 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, 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 (2.34 Å) and one longer (2.53 Å) Ca(1)-O(1) bond length. There are a spread of Ca(1)-O(2) bond distances ranging from 2.37-2.67 Å. There are a spread of Ca(1)-O(3) bond distances ranging from 2.38-2.74 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Ca(2)-O(2) bond lengths are 2.77 Å. Both Ca(2)-O(3) bond lengths are 2.69 Å. There are two shorter (2.33 Å) and two longer (2.45 Å) Ca(2)-O(1) bond lengths. Rh(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Rh(1)-O(1) bond lengths are 2.03 Å. Both Rh(1)-O(2) bond lengths are 2.03 Å. Both Rh(1)-O(3) bond lengths are 2.04 Å. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(1)-O(2) bond lengths are 1.94 Å. Both Cu(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 Ca(1), two equivalent Ca(2), and one Rh(1) atom to form a mixture of corner and edge-sharing OCa4Rh square pyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one Rh(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one Rh(1), and one Cu(1) atom.