Co3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), two equivalent O(5), and one F(1) atom to form distorted CoO5F octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent O(1), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third Co site, Co(3) is bonded to one O(3), two equivalent O(2), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(4)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Co site, Co(4) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(3) atom to form CoO5F octahedra that share corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(2), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(1)O5F octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the sixth Co site, Co(6) is bonded to one O(4), two equivalent O(5), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate 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(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom.
Co3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), two equivalent O(5), and one F(1) atom to form distorted CoO5F octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. The Co(1)-O(4) bond length is 1.89 Å. Both Co(1)-O(2) bond lengths are 1.91 Å. Both Co(1)-O(5) bond lengths are 1.91 Å. The Co(1)-F(1) bond length is 2.37 Å. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent O(1), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. The Co(2)-O(3) bond length is 1.83 Å. The Co(2)-O(4) bond length is 1.85 Å. Both Co(2)-O(1) bond lengths are 1.86 Å. The Co(2)-F(1) bond length is 1.93 Å. The Co(2)-F(2) bond length is 1.95 Å. In the third Co site, Co(3) is bonded to one O(3), two equivalent O(2), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(4)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The Co(3)-O(3) bond length is 1.89 Å. Both Co(3)-O(2) bond lengths are 1.87 Å. The Co(3)-F(1) bond length is 2.05 Å. The Co(3)-F(3) bond length is 2.00 Å. The Co(3)-F(4) bond length is 2.01 Å. In the fourth Co site, Co(4) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(3) atom to form CoO5F octahedra that share corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Co(4)-O(3) bond length is 2.03 Å. Both Co(4)-O(1) bond lengths are 1.90 Å. Both Co(4)-O(5) bond lengths are 1.88 Å. The Co(4)-F(3) bond length is 2.29 Å. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(2), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(1)O5F octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. Both Co(5)-O(1) bond lengths are 1.90 Å. Both Co(5)-O(2) bond lengths are 1.88 Å. The Co(5)-F(2) bond length is 2.10 Å. The Co(5)-F(4) bond length is 2.07 Å. In the sixth Co site, Co(6) is bonded to one O(4), two equivalent O(5), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Co(6)-O(4) bond length is 1.93 Å. Both Co(6)-O(5) bond lengths are 1.87 Å. The Co(6)-F(2) bond length is 2.06 Å. The Co(6)-F(3) bond length is 2.01 Å. The Co(6)-F(4) bond length is 2.01 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate 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(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom.