Co2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(3)OF5 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Co site, Co(3) is bonded to one O(1), one F(4), and four equivalent F(1) atoms to form CoOF5 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth Co site, Co(4) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(1) atoms.
Co2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(3)OF5 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Co(1)-O(1) bond length is 1.97 Å. The Co(1)-O(2) bond length is 1.88 Å. The Co(1)-F(1) bond length is 2.14 Å. The Co(1)-F(2) bond length is 2.11 Å. The Co(1)-F(3) bond length is 2.06 Å. The Co(1)-F(4) bond length is 2.08 Å. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. Both Co(2)-O(2) bond lengths are 2.17 Å. All Co(2)-F(2) bond lengths are 2.04 Å. In the third Co site, Co(3) is bonded to one O(1), one F(4), and four equivalent F(1) atoms to form CoOF5 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Co(3)-O(1) bond length is 1.85 Å. The Co(3)-F(4) bond length is 2.13 Å. All Co(3)-F(1) bond lengths are 2.05 Å. In the fourth Co site, Co(4) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Both Co(4)-F(3) bond lengths are 1.99 Å. All Co(4)-F(2) bond lengths are 2.05 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(1) atoms.