Co7O12 crystallizes in the triclinic P1 space group. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(5), and one O(9) atom. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 20°. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. In the fifth Co site, Co(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the sixth Co site, Co(6) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the seventh Co site, Co(7) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(4), one Co(5), and one Co(7) atom. In the fourth O site, O(4) is bonded in a trigonal pyramidal geometry to one Co(1), one Co(2), one Co(5), and one Co(7) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(4), one Co(5), and one Co(7) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(1), one Co(5), and one Co(7) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(4), one Co(5), and one Co(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(5), and one Co(7) atom.
Co7O12 crystallizes in the triclinic P1 space group. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Co(1)-O(11) bond length is 2.05 Å. The Co(1)-O(12) bond length is 2.05 Å. The Co(1)-O(3) bond length is 2.04 Å. The Co(1)-O(4) bond length is 2.02 Å. The Co(1)-O(7) bond length is 1.83 Å. The Co(1)-O(8) bond length is 1.80 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(5), and one O(9) atom. The Co(2)-O(1) bond length is 2.02 Å. The Co(2)-O(12) bond length is 2.04 Å. The Co(2)-O(4) bond length is 2.10 Å. The Co(2)-O(5) bond length is 1.79 Å. The Co(2)-O(9) bond length is 1.96 Å. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 20°. The Co(3)-O(1) bond length is 1.90 Å. The Co(3)-O(10) bond length is 1.96 Å. The Co(3)-O(2) bond length is 1.87 Å. The Co(3)-O(5) bond length is 1.91 Å. The Co(3)-O(6) bond length is 1.83 Å. The Co(3)-O(9) bond length is 1.83 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. The Co(4)-O(10) bond length is 1.83 Å. The Co(4)-O(11) bond length is 2.10 Å. The Co(4)-O(2) bond length is 2.03 Å. The Co(4)-O(3) bond length is 2.02 Å. The Co(4)-O(6) bond length is 2.00 Å. The Co(4)-O(7) bond length is 2.35 Å. In the fifth Co site, Co(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 13°. The Co(5)-O(11) bond length is 1.91 Å. The Co(5)-O(12) bond length is 1.90 Å. The Co(5)-O(3) bond length is 1.87 Å. The Co(5)-O(4) bond length is 1.86 Å. The Co(5)-O(7) bond length is 1.98 Å. The Co(5)-O(8) bond length is 1.95 Å. In the sixth Co site, Co(6) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. The Co(6)-O(1) bond length is 1.85 Å. The Co(6)-O(10) bond length is 1.89 Å. The Co(6)-O(2) bond length is 1.85 Å. The Co(6)-O(5) bond length is 1.92 Å. The Co(6)-O(6) bond length is 1.88 Å. The Co(6)-O(9) bond length is 1.89 Å. In the seventh Co site, Co(7) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Co(7)-O(11) bond length is 1.88 Å. The Co(7)-O(12) bond length is 1.90 Å. The Co(7)-O(3) bond length is 1.98 Å. The Co(7)-O(4) bond length is 1.95 Å. The Co(7)-O(7) bond length is 1.91 Å. The Co(7)-O(8) bond length is 1.91 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(4), one Co(5), and one Co(7) atom. In the fourth O site, O(4) is bonded in a trigonal pyramidal geometry to one Co(1), one Co(2), one Co(5), and one Co(7) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(4), one Co(5), and one Co(7) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(1), one Co(5), and one Co(7) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(4), one Co(5), and one Co(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(5), and one Co(7) atom.