CoF3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Co site, Co(2) is bonded to one F(4), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Co(1) and one Co(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Co(2) atoms. In the sixth F site, F(6) is bonded in a linear geometry to one Co(1) and one Co(2) atom.
CoF3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. The Co(1)-F(3) bond length is 1.92 Å. The Co(1)-F(4) bond length is 2.01 Å. Both Co(1)-F(2) bond lengths are 1.94 Å. Both Co(1)-F(6) bond lengths are 1.86 Å. In the second Co site, Co(2) is bonded to one F(4), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Co(2)-F(4) bond length is 1.84 Å. The Co(2)-F(5) bond length is 1.92 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Co(2)-F(1) bond length. Both Co(2)-F(6) bond lengths are 1.96 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Co(1) and one Co(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Co(2) atoms. In the sixth F site, F(6) is bonded in a linear geometry to one Co(1) and one Co(2) atom.