Li2CoOF2 is alpha Po-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(1)OF5 octahedra, edges with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with four equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Li site, Li(2) is bonded to one F(1) and five equivalent F(2) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Co(1) is bonded to five equivalent O(1) and one F(1) atom to form CoO5F octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(1)OF5 octahedra, corners with four equivalent Co(1)O5F octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to one Li(1) and five equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one F(1)Li5Co octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), four equivalent Li(1), and one Co(1) atom to form FLi5Co octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent F(1)Li5Co octahedra, edges with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with four equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second F site, F(2) is bonded to one Li(1) and five equivalent Li(2) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(1)Li5Co octahedra, corners with four equivalent F(2)Li6 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
Li2CoOF2 is alpha Po-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form LiOF5 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(1)OF5 octahedra, edges with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with four equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-3°. The Li(1)-O(1) bond length is 2.10 Å. The Li(1)-F(2) bond length is 2.06 Å. All Li(1)-F(1) bond lengths are 2.09 Å. In the second Li site, Li(2) is bonded to one F(1) and five equivalent F(2) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Co(1)O5F octahedra, corners with four equivalent Li(2)F6 octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Li(2)-F(1) bond length is 2.01 Å. There is one shorter (2.02 Å) and four longer (2.09 Å) Li(2)-F(2) bond lengths. Co(1) is bonded to five equivalent O(1) and one F(1) atom to form CoO5F octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Li(1)OF5 octahedra, corners with four equivalent Co(1)O5F octahedra, edges with four equivalent Li(1)OF5 octahedra, and edges with eight equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are four shorter (2.09 Å) and one longer (2.17 Å) Co(1)-O(1) bond length. The Co(1)-F(1) bond length is 2.23 Å. O(1) is bonded to one Li(1) and five equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one F(1)Li5Co octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), four equivalent Li(1), and one Co(1) atom to form FLi5Co octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with four equivalent F(1)Li5Co octahedra, edges with four equivalent O(1)LiCo5 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with four equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second F site, F(2) is bonded to one Li(1) and five equivalent Li(2) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one F(1)Li5Co octahedra, corners with four equivalent F(2)Li6 octahedra, edges with four equivalent F(1)Li5Co octahedra, and edges with eight equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.