Co3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with six equivalent Co(3)O5F octahedra, and edges with two equivalent Co(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with six equivalent Co(4)O3F3 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and one F(2) atom to form CoO5F octahedra that share corners with three equivalent Co(1)O4F2 octahedra, corners with five equivalent Co(4)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), one F(2), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with three equivalent Co(2)O4F2 octahedra, corners with five equivalent Co(3)O5F octahedra,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(4) atom.
Co3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with six equivalent Co(3)O5F octahedra, and edges with two equivalent Co(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Both Co(1)-O(1) bond lengths are 1.87 Å. Both Co(1)-O(4) bond lengths are 1.89 Å. Both Co(1)-F(2) bond lengths are 2.03 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with six equivalent Co(4)O3F3 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-55°. Both Co(2)-O(1) bond lengths are 1.93 Å. Both Co(2)-O(2) bond lengths are 1.89 Å. Both Co(2)-F(1) bond lengths are 2.11 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and one F(2) atom to form CoO5F octahedra that share corners with three equivalent Co(1)O4F2 octahedra, corners with five equivalent Co(4)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Co(3)-O(1) bond length is 1.92 Å. The Co(3)-O(2) bond length is 1.92 Å. The Co(3)-O(4) bond length is 1.93 Å. There is one shorter (1.91 Å) and one longer (1.92 Å) Co(3)-O(3) bond length. The Co(3)-F(2) bond length is 2.25 Å. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), one F(2), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with three equivalent Co(2)O4F2 octahedra, corners with five equivalent Co(3)O5F octahedra,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Co(4)-O(2) bond length is 1.87 Å. The Co(4)-O(3) bond length is 1.87 Å. The Co(4)-O(4) bond length is 1.89 Å. The Co(4)-F(2) bond length is 2.06 Å. There is one shorter (1.96 Å) and one longer (2.07 Å) Co(4)-F(1) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(4) atom.