Co2O3F 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(2), four equivalent O(3), and one F(1) atom to form CoO5F octahedra that share corners with eight equivalent Co(4)O4F2 octahedra and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Co site, Co(3) is bonded to four equivalent O(4) and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(4)O4F2 octahedra and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are four 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(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(4) atoms.
Co2O3F 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(2), four equivalent O(3), and one F(1) atom to form CoO5F octahedra that share corners with eight equivalent Co(4)O4F2 octahedra and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(1)-O(2) bond length is 1.81 Å. There are two shorter (1.88 Å) and two longer (1.89 Å) Co(1)-O(3) bond lengths. The Co(1)-F(1) bond length is 1.93 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. Both Co(2)-O(1) bond lengths are 1.97 Å. All Co(2)-O(4) bond lengths are 1.88 Å. In the third Co site, Co(3) is bonded to four equivalent O(4) and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(4)O4F2 octahedra and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. All Co(3)-O(4) bond lengths are 1.89 Å. Both Co(3)-F(2) bond lengths are 1.83 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(4)-O(1) bond length is 1.88 Å. The Co(4)-O(2) bond length is 1.91 Å. The Co(4)-O(3) bond length is 1.86 Å. The Co(4)-O(4) bond length is 1.85 Å. The Co(4)-F(1) bond length is 2.02 Å. The Co(4)-F(2) bond length is 2.01 Å. There are four 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(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(4) atoms.