CoOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. 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(3) 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(3) atom.
CoOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. The Co(1)-O(1) bond length is 1.99 Å. The Co(1)-O(2) bond length is 1.83 Å. The Co(1)-O(3) bond length is 1.93 Å. The Co(1)-F(1) bond length is 2.02 Å. The Co(1)-F(2) bond length is 2.03 Å. The Co(1)-F(3) bond length is 2.08 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Co(2)-O(1) bond length is 1.84 Å. The Co(2)-O(2) bond length is 1.93 Å. The Co(2)-O(3) bond length is 1.86 Å. The Co(2)-F(1) bond length is 2.12 Å. The Co(2)-F(2) bond length is 2.04 Å. The Co(2)-F(3) bond length is 2.08 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. The Co(3)-O(1) bond length is 1.86 Å. The Co(3)-O(2) bond length is 1.87 Å. The Co(3)-O(3) bond length is 1.86 Å. The Co(3)-F(1) bond length is 1.94 Å. The Co(3)-F(2) bond length is 2.01 Å. The Co(3)-F(3) bond length is 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. 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(3) 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(3) atom.