Materials Data on Rb3CrF6 by Materials Project

Abstract

Rb3CrF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are four shorter (2.79 Å) and two longer (3.01 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.76–2.98 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.75–2.99 Å. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 1.95–1.97 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Cr3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Cr3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Cr3+ atom.