Co3(OF2)2 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 F(2), one F(4), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(3) atoms. 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(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar 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 trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom.
Co3(OF2)2 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 F(2), one F(4), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Co(1)-O(1) bond length is 1.80 Å. The Co(1)-O(2) bond length is 1.97 Å. The Co(1)-F(2) bond length is 2.05 Å. The Co(1)-F(4) bond length is 2.05 Å. There is one shorter (2.02 Å) and one longer (2.17 Å) Co(1)-F(3) bond length. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Both Co(2)-O(2) bond lengths are 2.07 Å. Both Co(2)-F(1) bond lengths are 2.03 Å. Both Co(2)-F(4) bond lengths are 2.03 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There is one shorter (1.97 Å) and one longer (1.99 Å) Co(3)-O(1) bond length. The Co(3)-F(1) bond length is 2.09 Å. The Co(3)-F(2) bond length is 2.15 Å. The Co(3)-F(3) bond length is 2.01 Å. The Co(3)-F(4) bond length is 2.05 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Both Co(4)-O(2) bond lengths are 1.90 Å. Both Co(4)-F(1) bond lengths are 2.07 Å. Both Co(4)-F(2) bond lengths are 2.13 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(3) atoms. 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(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar 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 trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom.