Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(4), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom.
Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There is one shorter (1.84 Å) and one longer (1.91 Å) Co(1)-O(2) bond length. The Co(1)-F(1) bond length is 2.07 Å. The Co(1)-F(2) bond length is 2.11 Å. The Co(1)-F(3) bond length is 2.09 Å. The Co(1)-F(4) bond length is 2.02 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(4), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Co(2)-O(1) bond length is 1.93 Å. The Co(2)-O(2) bond length is 1.95 Å. The Co(2)-F(1) bond length is 2.03 Å. The Co(2)-F(4) bond length is 2.20 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Co(2)-F(3) bond length. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There is one shorter (1.82 Å) and one longer (2.02 Å) Co(3)-O(1) bond length. The Co(3)-F(1) bond length is 2.03 Å. The Co(3)-F(4) bond length is 2.04 Å. There is one shorter (2.09 Å) and one longer (2.13 Å) Co(3)-F(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom.