Co3OF5 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(2), one F(2), one F(3), one F(6), one F(7), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(4)OF5 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Co site, Co(2) is bonded to one O(1), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Co(4)OF5 octahedra, corners with two equivalent Co(6)OF5 octahedra, corners with four equivalent Co(5)O2F4 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the third Co site, Co(3) is bonded to one F(1), one F(10), one F(2), one F(4), one F(5), and one F(7) atom to form CoF6 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)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth Co site, Co(4) is bonded to one O(1), one F(1), one F(10), one F(2), one F(5), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with four equivalent Co(3)F6 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 49-57°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one F(10), one F(4), one F(6), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the sixth Co site, Co(6) is bonded to one O(2), one F(1), one F(3), one F(7), one F(8), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with four equivalent Co(1)OF5 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. 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(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(5), and one Co(6) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(4) 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 trigonal planar 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(2), one Co(3), and one Co(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Co(2), one Co(5), and one Co(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(5) atom.
Co3OF5 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(2), one F(2), one F(3), one F(6), one F(7), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(4)OF5 octahedra, corners with four equivalent Co(6)OF5 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. The Co(1)-O(2) bond length is 1.97 Å. The Co(1)-F(2) bond length is 2.09 Å. The Co(1)-F(3) bond length is 2.08 Å. The Co(1)-F(6) bond length is 2.08 Å. The Co(1)-F(7) bond length is 2.09 Å. The Co(1)-F(9) bond length is 2.08 Å. In the second Co site, Co(2) is bonded to one O(1), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Co(4)OF5 octahedra, corners with two equivalent Co(6)OF5 octahedra, corners with four equivalent Co(5)O2F4 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. The Co(2)-O(1) bond length is 1.83 Å. The Co(2)-F(3) bond length is 2.03 Å. The Co(2)-F(4) bond length is 2.02 Å. The Co(2)-F(5) bond length is 2.05 Å. The Co(2)-F(6) bond length is 2.01 Å. The Co(2)-F(8) bond length is 2.12 Å. In the third Co site, Co(3) is bonded to one F(1), one F(10), one F(2), one F(4), one F(5), and one F(7) atom to form CoF6 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)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. The Co(3)-F(1) bond length is 2.01 Å. The Co(3)-F(10) bond length is 2.03 Å. The Co(3)-F(2) bond length is 2.07 Å. The Co(3)-F(4) bond length is 2.06 Å. The Co(3)-F(5) bond length is 2.08 Å. The Co(3)-F(7) bond length is 2.04 Å. In the fourth Co site, Co(4) is bonded to one O(1), one F(1), one F(10), one F(2), one F(5), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with four equivalent Co(3)F6 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 49-57°. The Co(4)-O(1) bond length is 2.05 Å. The Co(4)-F(1) bond length is 2.03 Å. The Co(4)-F(10) bond length is 2.09 Å. The Co(4)-F(2) bond length is 2.05 Å. The Co(4)-F(5) bond length is 2.07 Å. The Co(4)-F(9) bond length is 2.10 Å. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one F(10), one F(4), one F(6), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, and  an edgeedge with one Co(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. The Co(5)-O(1) bond length is 1.86 Å. The Co(5)-O(2) bond length is 1.78 Å. The Co(5)-F(10) bond length is 2.00 Å. The Co(5)-F(4) bond length is 2.12 Å. The Co(5)-F(6) bond length is 2.10 Å. The Co(5)-F(8) bond length is 2.02 Å. In the sixth Co site, Co(6) is bonded to one O(2), one F(1), one F(3), one F(7), one F(8), and one F(9) atom to form CoOF5 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with four equivalent Co(1)OF5 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. The Co(6)-O(2) bond length is 2.01 Å. The Co(6)-F(1) bond length is 2.06 Å. The Co(6)-F(3) bond length is 2.07 Å. The Co(6)-F(7) bond length is 2.07 Å. The Co(6)-F(8) bond length is 2.12 Å. The Co(6)-F(9) bond length is 2.11 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(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(5), and one Co(6) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(4) 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 trigonal planar 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(2), one Co(3), and one Co(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Co(2), one Co(5), and one Co(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(5) atom.