Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one F(2), one F(3), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one F(3), one F(4), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Co site, Co(4) is bonded to one O(1), one O(4), one F(1), one F(4), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Co site, Co(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the sixth Co site, Co(6) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(4), one Co(5), and one Co(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(4), one Co(5), and one Co(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom.
Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one F(2), one F(3), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. The Co(1)-O(2) bond length is 2.02 Å. The Co(1)-O(3) bond length is 1.97 Å. The Co(1)-F(2) bond length is 2.09 Å. The Co(1)-F(3) bond length is 2.11 Å. The Co(1)-F(5) bond length is 2.02 Å. The Co(1)-F(8) bond length is 2.02 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. The Co(2)-O(1) bond length is 1.98 Å. The Co(2)-O(2) bond length is 1.78 Å. The Co(2)-F(3) bond length is 2.07 Å. The Co(2)-F(4) bond length is 2.06 Å. The Co(2)-F(5) bond length is 2.08 Å. The Co(2)-F(8) bond length is 2.13 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one F(3), one F(4), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. The Co(3)-O(1) bond length is 1.97 Å. The Co(3)-O(2) bond length is 2.00 Å. The Co(3)-F(3) bond length is 2.12 Å. The Co(3)-F(4) bond length is 2.07 Å. The Co(3)-F(6) bond length is 2.10 Å. The Co(3)-F(7) bond length is 2.06 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(4), one F(1), one F(4), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Co(4)-O(1) bond length is 1.79 Å. The Co(4)-O(4) bond length is 1.96 Å. The Co(4)-F(1) bond length is 2.11 Å. The Co(4)-F(4) bond length is 2.11 Å. The Co(4)-F(6) bond length is 2.03 Å. The Co(4)-F(7) bond length is 2.00 Å. In the fifth Co site, Co(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Co(5)-O(3) bond length is 1.81 Å. The Co(5)-O(4) bond length is 1.95 Å. The Co(5)-F(1) bond length is 2.06 Å. The Co(5)-F(2) bond length is 2.07 Å. The Co(5)-F(5) bond length is 2.09 Å. The Co(5)-F(8) bond length is 2.02 Å. In the sixth Co site, Co(6) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Co(6)-O(3) bond length is 1.91 Å. The Co(6)-O(4) bond length is 1.88 Å. The Co(6)-F(1) bond length is 2.07 Å. The Co(6)-F(2) bond length is 2.12 Å. The Co(6)-F(6) bond length is 1.98 Å. The Co(6)-F(7) bond length is 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(4), one Co(5), and one Co(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(4), one Co(5), and one Co(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom.