CoOF is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Co site, Co(2) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. O(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms.
CoOF is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both Co(1)-O(1) bond lengths are 1.94 Å. All Co(1)-F(1) bond lengths are 2.00 Å. In the second Co site, Co(2) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. All Co(2)-O(1) bond lengths are 1.88 Å. Both Co(2)-F(1) bond lengths are 2.23 Å. O(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms.