CoOF is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(5), one F(1), one F(2), and one F(5) atom to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(4), one F(3), one F(4), and one F(5) atom to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third Co site, Co(3) is bonded to one O(5), two equivalent O(3), one F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Co site, Co(4) is bonded to one O(1), two equivalent O(4), one F(4), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fifth Co site, Co(5) is bonded to one O(2), one O(3), one O(4), one F(2), one F(3), and one F(5) atom to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. 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(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom.
CoOF is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(5), one F(1), one F(2), and one F(5) atom to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Co(1)-O(2) bond length is 1.92 Å. The Co(1)-O(3) bond length is 1.85 Å. The Co(1)-O(5) bond length is 1.92 Å. The Co(1)-F(1) bond length is 2.08 Å. The Co(1)-F(2) bond length is 1.95 Å. The Co(1)-F(5) bond length is 2.11 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(4), one F(3), one F(4), and one F(5) atom to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Co(2)-O(1) bond length is 1.91 Å. The Co(2)-O(2) bond length is 1.90 Å. The Co(2)-O(4) bond length is 1.84 Å. The Co(2)-F(3) bond length is 1.95 Å. The Co(2)-F(4) bond length is 2.08 Å. The Co(2)-F(5) bond length is 2.06 Å. In the third Co site, Co(3) is bonded to one O(5), two equivalent O(3), one F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The Co(3)-O(5) bond length is 1.87 Å. Both Co(3)-O(3) bond lengths are 1.91 Å. The Co(3)-F(1) bond length is 1.94 Å. Both Co(3)-F(2) bond lengths are 2.09 Å. In the fourth Co site, Co(4) is bonded to one O(1), two equivalent O(4), one F(4), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Co(4)-O(1) bond length is 1.85 Å. Both Co(4)-O(4) bond lengths are 1.92 Å. The Co(4)-F(4) bond length is 2.00 Å. Both Co(4)-F(3) bond lengths are 2.08 Å. In the fifth Co site, Co(5) is bonded to one O(2), one O(3), one O(4), one F(2), one F(3), and one F(5) atom to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Co(5)-O(2) bond length is 1.86 Å. The Co(5)-O(3) bond length is 1.93 Å. The Co(5)-O(4) bond length is 1.91 Å. The Co(5)-F(2) bond length is 2.06 Å. The Co(5)-F(3) bond length is 2.08 Å. The Co(5)-F(5) bond length is 1.97 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. 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(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom.