Materials Data on Cr2F5 by Materials Project
Cr2F5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cr+2.50+ sites. In the first Cr+2.50+ site, Cr+2.50+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 2.00–2.67 Å. In the second Cr+2.50+ site, Cr+2.50+ is bonded to six F1- atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 30°. There is two shorter (1.93 Å) and four longer (1.96 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Cr+2.50+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cr+2.50+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Cr+2.50+ atoms.