Co2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(3)O4F2 octahedra, corners with four equivalent Co(4)O4F2 octahedra, and edges with two equivalent Co(2)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), one O(3), one O(5), one O(6), and one F(2) atom to form CoO5F octahedra that share corners with four equivalent Co(3)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 46-53°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(4), one O(5), 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(2)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(6), 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(2)O5F octahedra, and edges with two equivalent Co(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are six 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 distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) 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. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), 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), 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(2), one Co(3), and one Co(4) atom.
Co2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(3)O4F2 octahedra, corners with four equivalent Co(4)O4F2 octahedra, and edges with two equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(1)-O(1) bond length is 1.92 Å. The Co(1)-O(2) bond length is 1.96 Å. The Co(1)-O(4) bond length is 1.88 Å. The Co(1)-O(5) bond length is 1.97 Å. The Co(1)-O(6) bond length is 1.91 Å. The Co(1)-F(1) bond length is 2.09 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one F(2) atom to form CoO5F octahedra that share corners with four equivalent Co(3)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 46-53°. The Co(2)-O(1) bond length is 1.94 Å. The Co(2)-O(2) bond length is 1.97 Å. The Co(2)-O(3) bond length is 1.88 Å. The Co(2)-O(5) bond length is 1.98 Å. The Co(2)-O(6) bond length is 1.93 Å. The Co(2)-F(2) bond length is 2.09 Å. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(4), one O(5), 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(2)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(3)-O(2) bond length is 1.79 Å. The Co(3)-O(3) bond length is 1.91 Å. The Co(3)-O(4) bond length is 1.91 Å. The Co(3)-O(5) bond length is 1.79 Å. The Co(3)-F(1) bond length is 2.05 Å. The Co(3)-F(2) bond length is 2.05 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(6), 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(2)O5F octahedra, and edges with two equivalent Co(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Co(4)-O(1) bond length is 1.86 Å. The Co(4)-O(3) bond length is 1.91 Å. The Co(4)-O(4) bond length is 1.91 Å. The Co(4)-O(6) bond length is 1.86 Å. The Co(4)-F(1) bond length is 2.08 Å. The Co(4)-F(2) bond length is 2.08 Å. There are six 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 distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) 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. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), 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), 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(2), one Co(3), and one Co(4) atom.