Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 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(1), one F(2), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the third Co site, Co(3) is bonded to two equivalent O(2), one F(1), one F(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(2), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are two 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(3), and one Co(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped 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(2) and two equivalent Co(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom.
Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 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(1), one F(2), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Co(1)-O(1) bond length is 1.99 Å. The Co(1)-O(2) bond length is 1.80 Å. The Co(1)-F(1) bond length is 2.07 Å. The Co(1)-F(2) bond length is 2.13 Å. The Co(1)-F(4) bond length is 2.08 Å. The Co(1)-F(5) bond length is 2.08 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. Both Co(2)-O(1) bond lengths are 1.97 Å. Both Co(2)-F(3) bond lengths are 2.05 Å. Both Co(2)-F(5) bond lengths are 2.14 Å. In the third Co site, Co(3) is bonded to two equivalent O(2), one F(1), one F(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Both Co(3)-O(2) bond lengths are 2.01 Å. The Co(3)-F(1) bond length is 2.05 Å. The Co(3)-F(4) bond length is 2.03 Å. Both Co(3)-F(2) bond lengths are 2.15 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(2), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. The Co(4)-O(1) bond length is 1.81 Å. The Co(4)-O(2) bond length is 1.99 Å. The Co(4)-F(2) bond length is 2.06 Å. The Co(4)-F(5) bond length is 2.11 Å. There is one shorter (2.05 Å) and one longer (2.07 Å) Co(4)-F(3) bond length. There are two 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(3), and one Co(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped 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(2) and two equivalent Co(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom.