Co2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)OF5 octahedra and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)OF5 octahedra and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 50°. O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom.
Co2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Co(1)-O(1) bond length is 1.78 Å. The Co(1)-F(3) bond length is 2.01 Å. Both Co(1)-F(1) bond lengths are 2.08 Å. Both Co(1)-F(2) bond lengths are 2.07 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)OF5 octahedra and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Both Co(2)-O(1) bond lengths are 1.98 Å. Both Co(2)-F(1) bond lengths are 2.09 Å. Both Co(2)-F(3) bond lengths are 2.17 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)OF5 octahedra and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 50°. Both Co(3)-O(1) bond lengths are 2.01 Å. Both Co(3)-F(2) bond lengths are 2.08 Å. Both Co(3)-F(3) bond lengths are 2.10 Å. O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom.