Co3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with eight equivalent Co(3)O5F octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with four equivalent Co(3)O5F octahedra, corners with four equivalent Co(4)O6 octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Co site, Co(3) is bonded to one O(1), two equivalent O(3), two equivalent O(4), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth Co site, Co(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form CoO6 octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are five 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 distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(2) atoms.
Co3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with eight equivalent Co(3)O5F octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Both Co(1)-O(4) bond lengths are 1.90 Å. All Co(1)-O(1) bond lengths are 1.89 Å. In the second Co site, Co(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with four equivalent Co(3)O5F octahedra, corners with four equivalent Co(4)O6 octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Co(2)-O(3) bond length is 1.95 Å. The Co(2)-O(5) bond length is 1.89 Å. Both Co(2)-O(2) bond lengths are 1.91 Å. Both Co(2)-F(1) bond lengths are 2.03 Å. In the third Co site, Co(3) is bonded to one O(1), two equivalent O(3), two equivalent O(4), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Co(3)-O(1) bond length is 1.91 Å. Both Co(3)-O(3) bond lengths are 1.89 Å. Both Co(3)-O(4) bond lengths are 1.89 Å. The Co(3)-F(1) bond length is 2.20 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form CoO6 octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Both Co(4)-O(2) bond lengths are 1.86 Å. All Co(4)-O(5) bond lengths are 1.89 Å. There are five 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 distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(2) atoms.