Co2O3F is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), two equivalent O(3), two equivalent O(4), and one F(2) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(4)O4F2 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to one O(1), one O(2), two equivalent O(3), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with four equivalent Co(1)O5F octahedra, corners with four equivalent Co(3)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Co site, Co(3) is bonded to one O(2), 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(4)O4F2 octahedra, and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), two equivalent O(4), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with four equivalent Co(1)O5F octahedra, corners with four equivalent Co(3)O5F octahedra, and edges with two equivalent Co(2)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(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) 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. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), 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(2), one Co(3), and one Co(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom.
Co2O3F is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), two equivalent O(3), two equivalent O(4), and one F(2) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(4)O4F2 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(1)-O(1) bond length is 1.91 Å. Both Co(1)-O(3) bond lengths are 1.94 Å. Both Co(1)-O(4) bond lengths are 1.88 Å. The Co(1)-F(2) bond length is 2.14 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), two equivalent O(3), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with four equivalent Co(1)O5F octahedra, corners with four equivalent Co(3)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Co(2)-O(1) bond length is 1.88 Å. The Co(2)-O(2) bond length is 1.91 Å. Both Co(2)-O(3) bond lengths are 1.84 Å. The Co(2)-F(1) bond length is 2.04 Å. The Co(2)-F(2) bond length is 2.04 Å. In the third Co site, Co(3) is bonded to one O(2), 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(4)O4F2 octahedra, and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Co(3)-O(2) bond length is 1.86 Å. Both Co(3)-O(3) bond lengths are 1.94 Å. Both Co(3)-O(4) bond lengths are 1.95 Å. The Co(3)-F(1) bond length is 2.15 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), two equivalent O(4), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with four equivalent Co(1)O5F octahedra, corners with four equivalent Co(3)O5F octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(4)-O(1) bond length is 1.92 Å. The Co(4)-O(2) bond length is 1.90 Å. Both Co(4)-O(4) bond lengths are 1.85 Å. The Co(4)-F(1) bond length is 2.07 Å. The Co(4)-F(2) bond length is 2.06 Å. There are four 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(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) 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. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), 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(2), one Co(3), and one Co(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom.