FeF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal P321 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second Fe site, Fe(2) is bonded to six equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Fe(1) atoms.
FeF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal P321 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. All Fe(1)-F(1) bond lengths are 1.93 Å. All Fe(1)-F(2) bond lengths are 1.93 Å. In the second Fe site, Fe(2) is bonded to six equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Fe(2)-F(1) bond lengths are 1.93 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Fe(1) atoms.