Co2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmce 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), two equivalent O(3), and one F(1) atom to form CoO5F octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(1)O5F octahedra and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms.
Co2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmce 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), two equivalent O(3), and one F(1) atom to form CoO5F octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Co(1)-O(2) bond length is 1.86 Å. Both Co(1)-O(1) bond lengths are 1.98 Å. Both Co(1)-O(3) bond lengths are 1.98 Å. The Co(1)-F(1) bond length is 2.08 Å. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(1)O5F octahedra and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Co(2)-O(1) bond length is 1.77 Å. The Co(2)-O(3) bond length is 1.77 Å. Both Co(2)-O(2) bond lengths are 1.93 Å. Both Co(2)-F(1) bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms.