Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), one F(1), and three equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to three equivalent Co(1) atoms.
Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), one F(1), and three equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There is one shorter (1.78 Å) and one longer (2.01 Å) Co(1)-O(1) bond length. The Co(1)-F(1) bond length is 2.04 Å. There are a spread of Co(1)-F(2) bond distances ranging from 2.05-2.18 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Both Co(2)-O(1) bond lengths are 2.05 Å. There are two shorter (2.03 Å) and two longer (2.07 Å) Co(2)-F(1) bond lengths. O(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to three equivalent Co(1) atoms.