Co2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(3), and four equivalent F(1) atoms to form CoOF5 octahedra that share corners with eight equivalent Co(3)O2F4 octahedra and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Co site, Co(2) is bonded to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(4)O2F4 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 45-54°. In the third Co site, Co(3) 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 four equivalent Co(1)OF5 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(2)OF5 octahedra and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. 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) and two equivalent Co(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 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 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(1) and two equivalent Co(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom.
Co2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(3), and four equivalent F(1) atoms to form CoOF5 octahedra that share corners with eight equivalent Co(3)O2F4 octahedra and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Co(1)-O(2) bond length is 1.78 Å. The Co(1)-F(3) bond length is 2.02 Å. All Co(1)-F(1) bond lengths are 2.07 Å. In the second Co site, Co(2) is bonded to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(4)O2F4 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 45-54°. The Co(2)-O(1) bond length is 1.79 Å. The Co(2)-F(4) bond length is 2.02 Å. Both Co(2)-F(1) bond lengths are 2.06 Å. Both Co(2)-F(2) bond lengths are 2.09 Å. In the third Co site, Co(3) 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 four equivalent Co(1)OF5 octahedra, corners with four equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(4)O2F4 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)-O(2) bond length is 2.00 Å. The Co(3)-F(3) bond length is 2.13 Å. The Co(3)-F(4) bond length is 2.15 Å. Both Co(3)-F(1) bond lengths are 2.08 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(2)OF5 octahedra and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Co(4)-O(1) bond lengths are 1.99 Å. Both Co(4)-F(2) bond lengths are 2.07 Å. Both Co(4)-F(4) bond lengths are 2.16 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) and two equivalent Co(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 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 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(1) and two equivalent Co(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom.