Co3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), two equivalent F(4), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(5)F6 octahedra, corners with two equivalent Co(4)OF5 octahedra, corners with four equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to two equivalent O(1), one F(3), one F(9), and two equivalent F(1) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(1)OF5 octahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the third Co site, Co(3) is bonded to two equivalent O(2), one F(2), one F(5), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(4)OF5 octahedra, corners with four equivalent Co(5)F6 octahedra, and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fourth Co site, Co(4) is bonded to one O(2), one F(7), two equivalent F(10), and two equivalent F(6) atoms to form CoOF5 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with four equivalent Co(6)F6 octahedra, and edges with two equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth Co site, Co(5) is bonded to one F(4), one F(8), two equivalent F(2), and two equivalent F(5) atoms to form CoF6 octahedra that share corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with four equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Co site, Co(6) is bonded to one F(10), one F(6), two equivalent F(8), and two equivalent F(9) atoms to form CoF6 octahedra that share corners with two equivalent Co(5)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(4)OF5 octahedra, and edges with two equivalent Co(6)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(3) atoms. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(5) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(1) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(5) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(6) atoms. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(6) atoms. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(4) atoms.
Co3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), two equivalent F(4), and two equivalent F(7) atoms to form CoOF5 octahedra that share corners with two equivalent Co(5)F6 octahedra, corners with two equivalent Co(4)OF5 octahedra, corners with four equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Co(1)-O(1) bond length is 1.85 Å. The Co(1)-F(1) bond length is 2.11 Å. Both Co(1)-F(4) bond lengths are 2.05 Å. Both Co(1)-F(7) bond lengths are 2.06 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), one F(3), one F(9), and two equivalent F(1) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with four equivalent Co(1)OF5 octahedra, and edges with two equivalent Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Both Co(2)-O(1) bond lengths are 1.99 Å. The Co(2)-F(3) bond length is 2.11 Å. The Co(2)-F(9) bond length is 2.06 Å. Both Co(2)-F(1) bond lengths are 2.17 Å. In the third Co site, Co(3) is bonded to two equivalent O(2), one F(2), one F(5), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(4)OF5 octahedra, corners with four equivalent Co(5)F6 octahedra, and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Both Co(3)-O(2) bond lengths are 1.95 Å. The Co(3)-F(2) bond length is 2.05 Å. The Co(3)-F(5) bond length is 2.04 Å. Both Co(3)-F(3) bond lengths are 2.06 Å. In the fourth Co site, Co(4) is bonded to one O(2), one F(7), two equivalent F(10), and two equivalent F(6) atoms to form CoOF5 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with four equivalent Co(6)F6 octahedra, and edges with two equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Co(4)-O(2) bond length is 1.86 Å. The Co(4)-F(7) bond length is 2.07 Å. Both Co(4)-F(10) bond lengths are 2.04 Å. Both Co(4)-F(6) bond lengths are 2.05 Å. In the fifth Co site, Co(5) is bonded to one F(4), one F(8), two equivalent F(2), and two equivalent F(5) atoms to form CoF6 octahedra that share corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with four equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Co(5)-F(4) bond length is 2.08 Å. The Co(5)-F(8) bond length is 2.04 Å. Both Co(5)-F(2) bond lengths are 2.04 Å. Both Co(5)-F(5) bond lengths are 2.03 Å. In the sixth Co site, Co(6) is bonded to one F(10), one F(6), two equivalent F(8), and two equivalent F(9) atoms to form CoF6 octahedra that share corners with two equivalent Co(5)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(4)OF5 octahedra, and edges with two equivalent Co(6)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Co(6)-F(10) bond length is 2.03 Å. The Co(6)-F(6) bond length is 2.03 Å. Both Co(6)-F(8) bond lengths are 2.05 Å. Both Co(6)-F(9) bond lengths are 2.05 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(3) atoms. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(5) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(1) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(5) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(6) atoms. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(6) atoms. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(4) atoms.