CoOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2) 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 two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms.
CoOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Co(1)-O(2) bond length is 1.90 Å. There is one shorter (1.85 Å) and one longer (1.94 Å) Co(1)-O(1) bond length. The Co(1)-F(1) bond length is 2.08 Å. There is one shorter (2.03 Å) and one longer (2.06 Å) Co(1)-F(2) bond length. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. The Co(2)-O(2) bond length is 1.84 Å. Both Co(2)-O(1) bond lengths are 1.86 Å. The Co(2)-F(1) bond length is 1.92 Å. Both Co(2)-F(2) bond lengths are 1.98 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) 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 two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms.