Co3OF5 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(2), one F(3), two equivalent F(2), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(3)OF5 octahedra, corners with three equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(5)F6 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(3), one F(4), and two equivalent F(1) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(1)OF5 octahedra, corners with three equivalent Co(5)F6 octahedra, corners with three equivalent Co(4)OF5 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the third Co site, Co(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with two equivalent Co(4)OF5 octahedra, corners with three equivalent Co(5)F6 octahedra, corners with three equivalent Co(1)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourth Co site, Co(4) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(3)OF5 octahedra, corners with three equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(5)F6 octahedra, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fifth Co site, Co(5) is bonded to one F(4), one F(6), two equivalent F(1), and two equivalent F(2) atoms to form CoF6 octahedra that share corners with two equivalent Co(6)OF5 octahedra, corners with three equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(3)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the sixth Co site, Co(6) is bonded to one O(2), one F(4), one F(5), one F(6), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(5)F6 octahedra, corners with three equivalent Co(1)OF5 octahedra, corners with three equivalent Co(4)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. There are seven 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(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(6) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom.
Co3OF5 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(2), one F(3), two equivalent F(2), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(3)OF5 octahedra, corners with three equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(5)F6 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Co(1)-O(2) bond length is 1.77 Å. The Co(1)-F(3) bond length is 1.95 Å. Both Co(1)-F(2) bond lengths are 2.05 Å. Both Co(1)-F(7) bond lengths are 2.05 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(3), one F(4), and two equivalent F(1) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(1)OF5 octahedra, corners with three equivalent Co(5)F6 octahedra, corners with three equivalent Co(4)OF5 octahedra,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. The Co(2)-O(1) bond length is 1.80 Å. The Co(2)-O(2) bond length is 1.97 Å. The Co(2)-F(3) bond length is 2.25 Å. The Co(2)-F(4) bond length is 2.07 Å. Both Co(2)-F(1) bond lengths are 2.08 Å. In the third Co site, Co(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with two equivalent Co(4)OF5 octahedra, corners with three equivalent Co(5)F6 octahedra, corners with three equivalent Co(1)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Co(3)-O(1) bond length is 2.02 Å. The Co(3)-F(3) bond length is 2.10 Å. The Co(3)-F(5) bond length is 2.09 Å. The Co(3)-F(6) bond length is 2.04 Å. Both Co(3)-F(2) bond lengths are 2.07 Å. In the fourth Co site, Co(4) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(3)OF5 octahedra, corners with three equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(5)F6 octahedra, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. The Co(4)-O(1) bond length is 1.92 Å. The Co(4)-F(5) bond length is 2.06 Å. Both Co(4)-F(1) bond lengths are 2.06 Å. Both Co(4)-F(7) bond lengths are 2.08 Å. In the fifth Co site, Co(5) is bonded to one F(4), one F(6), two equivalent F(1), and two equivalent F(2) atoms to form CoF6 octahedra that share corners with two equivalent Co(6)OF5 octahedra, corners with three equivalent Co(2)O2F4 octahedra, corners with three equivalent Co(3)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Co(5)-F(4) bond length is 2.03 Å. The Co(5)-F(6) bond length is 2.01 Å. Both Co(5)-F(1) bond lengths are 2.06 Å. Both Co(5)-F(2) bond lengths are 2.07 Å. In the sixth Co site, Co(6) is bonded to one O(2), one F(4), one F(5), one F(6), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(5)F6 octahedra, corners with three equivalent Co(1)OF5 octahedra, corners with three equivalent Co(4)OF5 octahedra,  an edgeedge with one Co(2)O2F4 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. The Co(6)-O(2) bond length is 1.99 Å. The Co(6)-F(4) bond length is 2.08 Å. The Co(6)-F(5) bond length is 2.11 Å. The Co(6)-F(6) bond length is 2.04 Å. Both Co(6)-F(7) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. There are seven 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(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(6) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom.