Cr6Cd(CuO6)2 is Spinel-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent Cu(2)O4 tetrahedra, corners with three equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(3) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cd(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(2), one O(9), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(10), one O(12), one O(4), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. In the fifth Cr site, Cr(5) is bonded to one O(3), one O(5), two equivalent O(11), and two equivalent O(8) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. In the sixth Cr site, Cr(6) is bonded to one O(10), one O(12), one O(2), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(3) and two equivalent O(9) atoms to form CuO4 tetrahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Cu site, Cu(2) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form CuO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the third Cu site, Cu(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form CuO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Cd(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form CdO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Cr(3), one Cr(4), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(2)Cr3Cd tetrahedra,  a cornercorner with one O(7)Cr3Cd tetrahedra,  a cornercorner with one O(8)Cr3Cd tetrahedra,  a cornercorner with one O(11)Cr3Cu trigonal pyramid, corners with two equivalent O(5)Cr3Cu trigonal pyramids,  an edgeedge with one O(2)Cr3Cd tetrahedra,  an edgeedge with one O(7)Cr3Cd tetrahedra, and  an edgeedge with one O(9)Cr3Cu trigonal pyramid. In the second O site, O(2) is bonded to one Cr(1), one Cr(3), one Cr(6), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(7)Cr3Cd tetrahedra,  a cornercorner with one O(8)Cr3Cd tetrahedra,  a cornercorner with one O(11)Cr3Cu trigonal pyramid, corners with two equivalent O(5)Cr3Cu trigonal pyramids,  an edgeedge with one O(1)Cr3Cd tetrahedra,  an edgeedge with one O(7)Cr3Cd tetrahedra, and  an edgeedge with one O(9)Cr3Cu trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cr(5), two equivalent Cr(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(4), and one Cu(2) atom. In the fifth O site, O(5) is bonded to one Cr(5), two equivalent Cr(3), and one Cu(3) atom to form distorted OCr3Cu trigonal pyramids that share corners with two equivalent O(1)Cr3Cd tetrahedra, corners with two equivalent O(2)Cr3Cd tetrahedra, corners with two equivalent O(8)Cr3Cd tetrahedra,  a cornercorner with one O(5)Cr3Cu trigonal pyramid, corners with two equivalent O(9)Cr3Cu trigonal pyramids,  an edgeedge with one O(5)Cr3Cu trigonal pyramid, and edges with two equivalent O(11)Cr3Cu trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(6), and one Cu(2) atom. In the seventh O site, O(7) is bonded to one Cr(1), one Cr(4), one Cr(6), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(2)Cr3Cd tetrahedra,  a cornercorner with one O(8)Cr3Cd tetrahedra,  an edgeedge with one O(1)Cr3Cd tetrahedra,  an edgeedge with one O(2)Cr3Cd tetrahedra, and  an edgeedge with one O(9)Cr3Cu trigonal pyramid. In the eighth O site, O(8) is bonded to one Cr(2), two equivalent Cr(5), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(2)Cr3Cd tetrahedra,  a cornercorner with one O(7)Cr3Cd tetrahedra, corners with two equivalent O(5)Cr3Cu trigonal pyramids, corners with four equivalent O(11)Cr3Cu trigonal pyramids, and  an edgeedge with one O(8)Cr3Cd tetrahedra. In the ninth O site, O(9) is bonded to one Cr(3), one Cr(4), one Cr(6), and one Cu(1) atom to form distorted OCr3Cu trigonal pyramids that share  a cornercorner with one O(11)Cr3Cu trigonal pyramid,  a cornercorner with one O(9)Cr3Cu trigonal pyramid, corners with two equivalent O(5)Cr3Cu trigonal pyramids,  an edgeedge with one O(1)Cr3Cd tetrahedra,  an edgeedge with one O(2)Cr3Cd tetrahedra, and  an edgeedge with one O(7)Cr3Cd tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), one Cr(6), and one Cu(3) atom. In the eleventh O site, O(11) is bonded to one Cr(3), two equivalent Cr(5), and one Cu(2) atom to form distorted OCr3Cu trigonal pyramids that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(2)Cr3Cd tetrahedra, corners with four equivalent O(8)Cr3Cd tetrahedra,  a cornercorner with one O(9)Cr3Cu trigonal pyramid,  an edgeedge with one O(11)Cr3Cu trigonal pyramid, and edges with two equivalent O(5)Cr3Cu trigonal pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(6), and one Cu(2) atom.
Cr6Cd(CuO6)2 is Spinel-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent Cu(2)O4 tetrahedra, corners with three equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The Cr(1)-O(1) bond length is 2.02 Å. The Cr(1)-O(12) bond length is 2.06 Å. The Cr(1)-O(2) bond length is 2.01 Å. The Cr(1)-O(4) bond length is 2.05 Å. The Cr(1)-O(6) bond length is 2.04 Å. The Cr(1)-O(7) bond length is 2.01 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(3) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cd(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The Cr(2)-O(10) bond length is 2.02 Å. The Cr(2)-O(4) bond length is 2.04 Å. The Cr(2)-O(6) bond length is 2.04 Å. The Cr(2)-O(8) bond length is 1.99 Å. Both Cr(2)-O(3) bond lengths are 2.04 Å. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(2), one O(9), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The Cr(3)-O(1) bond length is 2.00 Å. The Cr(3)-O(11) bond length is 2.06 Å. The Cr(3)-O(2) bond length is 2.01 Å. The Cr(3)-O(9) bond length is 2.03 Å. There is one shorter (2.02 Å) and one longer (2.03 Å) Cr(3)-O(5) bond length. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(10), one O(12), one O(4), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The Cr(4)-O(1) bond length is 2.00 Å. The Cr(4)-O(10) bond length is 2.03 Å. The Cr(4)-O(12) bond length is 2.05 Å. The Cr(4)-O(4) bond length is 2.04 Å. The Cr(4)-O(7) bond length is 2.00 Å. The Cr(4)-O(9) bond length is 2.04 Å. In the fifth Cr site, Cr(5) is bonded to one O(3), one O(5), two equivalent O(11), and two equivalent O(8) atoms to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The Cr(5)-O(3) bond length is 2.03 Å. The Cr(5)-O(5) bond length is 2.06 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Cr(5)-O(11) bond length. There is one shorter (2.01 Å) and one longer (2.02 Å) Cr(5)-O(8) bond length. In the sixth Cr site, Cr(6) is bonded to one O(10), one O(12), one O(2), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cd(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The Cr(6)-O(10) bond length is 2.03 Å. The Cr(6)-O(12) bond length is 2.05 Å. The Cr(6)-O(2) bond length is 2.00 Å. The Cr(6)-O(6) bond length is 2.04 Å. The Cr(6)-O(7) bond length is 2.01 Å. The Cr(6)-O(9) bond length is 2.04 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(3) and two equivalent O(9) atoms to form CuO4 tetrahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Both Cu(1)-O(3) bond lengths are 2.02 Å. Both Cu(1)-O(9) bond lengths are 2.00 Å. In the second Cu site, Cu(2) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form CuO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Cu(2)-O(11) bond length is 2.04 Å. The Cu(2)-O(12) bond length is 2.07 Å. The Cu(2)-O(4) bond length is 2.04 Å. The Cu(2)-O(6) bond length is 2.04 Å. In the third Cu site, Cu(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form CuO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Both Cu(3)-O(10) bond lengths are 2.02 Å. Both Cu(3)-O(5) bond lengths are 2.05 Å. Cd(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form CdO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. The Cd(1)-O(1) bond length is 2.14 Å. The Cd(1)-O(2) bond length is 2.14 Å. The Cd(1)-O(7) bond length is 2.14 Å. The Cd(1)-O(8) bond length is 2.14 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Cr(3), one Cr(4), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(2)Cr3Cd tetrahedra,  a cornercorner with one O(7)Cr3Cd tetrahedra,  a cornercorner with one O(8)Cr3Cd tetrahedra,  a cornercorner with one O(11)Cr3Cu trigonal pyramid, corners with two equivalent O(5)Cr3Cu trigonal pyramids,  an edgeedge with one O(2)Cr3Cd tetrahedra,  an edgeedge with one O(7)Cr3Cd tetrahedra, and  an edgeedge with one O(9)Cr3Cu trigonal pyramid. In the second O site, O(2) is bonded to one Cr(1), one Cr(3), one Cr(6), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(7)Cr3Cd tetrahedra,  a cornercorner with one O(8)Cr3Cd tetrahedra,  a cornercorner with one O(11)Cr3Cu trigonal pyramid, corners with two equivalent O(5)Cr3Cu trigonal pyramids,  an edgeedge with one O(1)Cr3Cd tetrahedra,  an edgeedge with one O(7)Cr3Cd tetrahedra, and  an edgeedge with one O(9)Cr3Cu trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cr(5), two equivalent Cr(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(4), and one Cu(2) atom. In the fifth O site, O(5) is bonded to one Cr(5), two equivalent Cr(3), and one Cu(3) atom to form distorted OCr3Cu trigonal pyramids that share corners with two equivalent O(1)Cr3Cd tetrahedra, corners with two equivalent O(2)Cr3Cd tetrahedra, corners with two equivalent O(8)Cr3Cd tetrahedra,  a cornercorner with one O(5)Cr3Cu trigonal pyramid, corners with two equivalent O(9)Cr3Cu trigonal pyramids,  an edgeedge with one O(5)Cr3Cu trigonal pyramid, and edges with two equivalent O(11)Cr3Cu trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(6), and one Cu(2) atom. In the seventh O site, O(7) is bonded to one Cr(1), one Cr(4), one Cr(6), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(2)Cr3Cd tetrahedra,  a cornercorner with one O(8)Cr3Cd tetrahedra,  an edgeedge with one O(1)Cr3Cd tetrahedra,  an edgeedge with one O(2)Cr3Cd tetrahedra, and  an edgeedge with one O(9)Cr3Cu trigonal pyramid. In the eighth O site, O(8) is bonded to one Cr(2), two equivalent Cr(5), and one Cd(1) atom to form OCr3Cd tetrahedra that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(2)Cr3Cd tetrahedra,  a cornercorner with one O(7)Cr3Cd tetrahedra, corners with two equivalent O(5)Cr3Cu trigonal pyramids, corners with four equivalent O(11)Cr3Cu trigonal pyramids, and  an edgeedge with one O(8)Cr3Cd tetrahedra. In the ninth O site, O(9) is bonded to one Cr(3), one Cr(4), one Cr(6), and one Cu(1) atom to form distorted OCr3Cu trigonal pyramids that share  a cornercorner with one O(11)Cr3Cu trigonal pyramid,  a cornercorner with one O(9)Cr3Cu trigonal pyramid, corners with two equivalent O(5)Cr3Cu trigonal pyramids,  an edgeedge with one O(1)Cr3Cd tetrahedra,  an edgeedge with one O(2)Cr3Cd tetrahedra, and  an edgeedge with one O(7)Cr3Cd tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(4), one Cr(6), and one Cu(3) atom. In the eleventh O site, O(11) is bonded to one Cr(3), two equivalent Cr(5), and one Cu(2) atom to form distorted OCr3Cu trigonal pyramids that share  a cornercorner with one O(1)Cr3Cd tetrahedra,  a cornercorner with one O(2)Cr3Cd tetrahedra, corners with four equivalent O(8)Cr3Cd tetrahedra,  a cornercorner with one O(9)Cr3Cu trigonal pyramid,  an edgeedge with one O(11)Cr3Cu trigonal pyramid, and edges with two equivalent O(5)Cr3Cu trigonal pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(6), and one Cu(2) atom.