Materials Data on Rb2FeF5 by Materials Project
Rb2FeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.13 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.91–3.23 Å. Fe3+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–F bond distances ranging from 1.92–2.08 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Fe3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four Rb1+ and one Fe3+ atom. In the third F1- site, F1- is bonded in a linear geometry to four Rb1+ and two equivalent Fe3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Fe3+ atom.