Materials Data on FeF3 by Materials Project

Abstract

FeF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Fe–F bond lengths are 1.95 Å. In the second Fe3+ site, Fe3+ is bonded to six equivalent F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Fe–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe3+ atoms.