CoOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), one F(3), and one F(4) atom to form CoO4F2 octahedra that share corners with four equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(4)O3F3 octahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent F(1), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(4)O3F3 octahedra, corners with four equivalent Co(5)O4F2 octahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)O4F2 octahedra and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth Co site, Co(4) is bonded to one O(2), two equivalent O(4), one F(1), and two equivalent F(4) atoms to form CoO3F3 octahedra that share corners with four equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(1)O4F2 octahedra, and edges with two equivalent Co(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fifth Co site, Co(5) is bonded to four equivalent O(3) and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(2)O2F4 octahedra and edges with two equivalent Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are four 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(4) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(5) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(4) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(5) and two equivalent Co(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped 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(1) and two equivalent Co(4) atoms.
CoOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), one F(3), and one F(4) atom to form CoO4F2 octahedra that share corners with four equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(4)O3F3 octahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Co(1)-O(1) bond lengths are 1.88 Å. Both Co(1)-O(2) bond lengths are 1.87 Å. The Co(1)-F(3) bond length is 2.19 Å. The Co(1)-F(4) bond length is 2.29 Å. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent F(1), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(4)O3F3 octahedra, corners with four equivalent Co(5)O4F2 octahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. The Co(2)-O(3) bond length is 1.97 Å. The Co(2)-O(4) bond length is 1.97 Å. Both Co(2)-F(1) bond lengths are 2.06 Å. Both Co(2)-F(2) bond lengths are 2.00 Å. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)O4F2 octahedra and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Co(3)-O(1) bond lengths are 1.90 Å. All Co(3)-F(3) bond lengths are 2.01 Å. In the fourth Co site, Co(4) is bonded to one O(2), two equivalent O(4), one F(1), and two equivalent F(4) atoms to form CoO3F3 octahedra that share corners with four equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(1)O4F2 octahedra, and edges with two equivalent Co(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. The Co(4)-O(2) bond length is 1.83 Å. Both Co(4)-O(4) bond lengths are 1.85 Å. The Co(4)-F(1) bond length is 1.98 Å. Both Co(4)-F(4) bond lengths are 1.95 Å. In the fifth Co site, Co(5) is bonded to four equivalent O(3) and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(2)O2F4 octahedra and edges with two equivalent Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. All Co(5)-O(3) bond lengths are 1.87 Å. Both Co(5)-F(2) bond lengths are 2.15 Å. There are four 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(4) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(5) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(4) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(5) and two equivalent Co(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped 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(1) and two equivalent Co(4) atoms.