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(1), one O(2), one O(4), one F(3), one F(5), and one F(7) atom to form CoO3F3 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the second Co site, Co(2) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(6) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(6)OF5 octahedra, corners with four equivalent Co(5)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one F(2), one F(4), one F(5), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(6)OF5 octahedra, corners with four equivalent Co(4)O2F4 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one F(1), one F(2), one F(7), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, corners with four equivalent Co(3)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Co site, Co(5) is bonded to one O(1), one O(4), one F(1), one F(4), one F(6), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, corners with four equivalent Co(2)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the sixth Co site, Co(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form CoOF5 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(1)O3F3 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) 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(4) atom. In the third O site, O(3) is bonded in a 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(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(6) 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(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Co(2), one Co(5), and one Co(6) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Co(1), 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(3), one Co(4), 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(1), one O(2), one O(4), one F(3), one F(5), and one F(7) atom to form CoO3F3 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Co(1)-O(1) bond length is 1.86 Å. The Co(1)-O(2) bond length is 1.96 Å. The Co(1)-O(4) bond length is 1.92 Å. The Co(1)-F(3) bond length is 2.05 Å. The Co(1)-F(5) bond length is 2.07 Å. The Co(1)-F(7) bond length is 2.02 Å. In the second Co site, Co(2) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(6) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(6)OF5 octahedra, corners with four equivalent Co(5)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. The Co(2)-O(3) bond length is 1.93 Å. The Co(2)-O(4) bond length is 1.95 Å. The Co(2)-F(1) bond length is 2.05 Å. The Co(2)-F(3) bond length is 2.11 Å. The Co(2)-F(4) bond length is 2.18 Å. The Co(2)-F(6) bond length is 2.05 Å. In the third Co site, Co(3) is bonded to one O(2), one O(3), one F(2), one F(4), one F(5), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(6)OF5 octahedra, corners with four equivalent Co(4)O2F4 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Co(3)-O(2) bond length is 1.97 Å. The Co(3)-O(3) bond length is 1.99 Å. The Co(3)-F(2) bond length is 2.08 Å. The Co(3)-F(4) bond length is 2.01 Å. The Co(3)-F(5) bond length is 2.01 Å. The Co(3)-F(8) bond length is 2.09 Å. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one F(1), one F(2), one F(7), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, corners with four equivalent Co(3)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. The Co(4)-O(2) bond length is 1.96 Å. The Co(4)-O(3) bond length is 1.95 Å. The Co(4)-F(1) bond length is 2.10 Å. The Co(4)-F(2) bond length is 2.04 Å. The Co(4)-F(7) bond length is 2.08 Å. The Co(4)-F(8) bond length is 2.04 Å. In the fifth Co site, Co(5) is bonded to one O(1), one O(4), one F(1), one F(4), one F(6), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, corners with four equivalent Co(2)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. The Co(5)-O(1) bond length is 1.90 Å. The Co(5)-O(4) bond length is 1.85 Å. The Co(5)-F(1) bond length is 2.05 Å. The Co(5)-F(4) bond length is 2.07 Å. The Co(5)-F(6) bond length is 2.05 Å. The Co(5)-F(8) bond length is 2.13 Å. In the sixth Co site, Co(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form CoOF5 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(1)O3F3 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Co(6)-O(1) bond length is 2.00 Å. The Co(6)-F(2) bond length is 2.01 Å. The Co(6)-F(3) bond length is 1.96 Å. The Co(6)-F(5) bond length is 1.97 Å. The Co(6)-F(6) bond length is 2.07 Å. The Co(6)-F(7) bond length is 2.21 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) 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(4) atom. In the third O site, O(3) is bonded in a 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(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(6) 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(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Co(2), one Co(5), and one Co(6) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Co(1), 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(3), one Co(4), and one Co(5) atom.