Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(3)O3F3 octahedra and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to one O(2), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(3)O3F3 octahedra,  an edgeedge with one Co(1)O2F4 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Co site, Co(3) is bonded to one O(2), two equivalent O(1), one F(3), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(2)OF5 octahedra and edges with two equivalent Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. 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. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted 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 distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom.
Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(3)O3F3 octahedra and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Both Co(1)-O(1) bond lengths are 1.94 Å. All Co(1)-F(1) bond lengths are 2.05 Å. In the second Co site, Co(2) is bonded to one O(2), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(3)O3F3 octahedra,  an edgeedge with one Co(1)O2F4 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Co(2)-O(2) bond length is 1.82 Å. The Co(2)-F(3) bond length is 2.03 Å. Both Co(2)-F(1) bond lengths are 2.03 Å. Both Co(2)-F(2) bond lengths are 2.07 Å. In the third Co site, Co(3) is bonded to one O(2), two equivalent O(1), one F(3), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. The Co(3)-O(2) bond length is 1.94 Å. There is one shorter (1.85 Å) and one longer (1.99 Å) Co(3)-O(1) bond length. The Co(3)-F(3) bond length is 2.16 Å. Both Co(3)-F(1) bond lengths are 2.13 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(2)OF5 octahedra and edges with two equivalent Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Both Co(4)-O(2) bond lengths are 2.02 Å. Both Co(4)-F(2) bond lengths are 2.13 Å. Both Co(4)-F(3) bond lengths are 2.09 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. 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. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted 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 distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom.