Cd6(CoO3)5 is Ilmenite-like structured and crystallizes in the trigonal R32 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(2) atoms to form face-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form face-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form face-sharing CoO6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent O(1), 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 Co(2), two equivalent Cd(1), and two equivalent Cd(2) atoms to form a mixture of distorted face and corner-sharing OCd4Co2 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(3), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Cd(1), and one Cd(2) atom.
Cd6(CoO3)5 is Ilmenite-like structured and crystallizes in the trigonal R32 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(2) atoms to form face-sharing CoO6 octahedra. All Co(1)-O(2) bond lengths are 1.90 Å. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form face-sharing CoO6 octahedra. All Co(2)-O(1) bond lengths are 1.92 Å. All Co(2)-O(3) bond lengths are 1.91 Å. In the third Co site, Co(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form face-sharing CoO6 octahedra. All Co(3)-O(2) bond lengths are 1.91 Å. All Co(3)-O(3) bond lengths are 1.91 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cd(1)-O(1) bond lengths are 2.63 Å. Both Cd(1)-O(2) bond lengths are 2.29 Å. Both Cd(1)-O(3) bond lengths are 2.30 Å. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cd(2)-O(1) bond lengths are 2.56 Å. Both Cd(2)-O(2) bond lengths are 2.24 Å. Both Cd(2)-O(3) bond lengths are 2.46 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(2), two equivalent Cd(1), and two equivalent Cd(2) atoms to form a mixture of distorted face and corner-sharing OCd4Co2 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(3), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Cd(1), and one Cd(2) atom.