Materials Data on K3CrF3 by Materials Project

Abstract

K3CrF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four F atoms. There are a spread of K–F bond distances ranging from 2.69–2.97 Å. In the second K site, K is bonded in a T-shaped geometry to three F atoms. There are a spread of K–F bond distances ranging from 2.50–2.63 Å. In the third K site, K is bonded in a 6-coordinate geometry to six F atoms. There are a spread of K–F bond distances ranging from 2.89–3.25 Å. Cr is bonded in a T-shaped geometry to three F atoms. There are two shorter (2.02 Å) and one longer (2.20 Å) Cr–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a 5-coordinate geometry to four K and one Cr atom. In the second F site, F is bonded in a 5-coordinate geometry to four K and one Cr atom. In the third F site, F is bonded in a 6-coordinate geometry to five K and one Cr atom.