CoF3 crystallizes in the trigonal P321 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Co site, Co(2) is bonded to six equivalent F(1) atoms to form distorted corner-sharing CoF6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 31°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms.
CoF3 crystallizes in the trigonal P321 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Co(1)-F(1) bond lengths are 1.93 Å. All Co(1)-F(2) bond lengths are 1.93 Å. In the second Co site, Co(2) is bonded to six equivalent F(1) atoms to form distorted corner-sharing CoF6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 31°. All Co(2)-F(1) bond lengths are 1.95 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms.