Materials Data on K2ReF8 by Materials Project

Abstract

K2ReF8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of K–F bond distances ranging from 2.81–3.10 Å. In the second K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of K–F bond distances ranging from 2.72–3.23 Å. Re6+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Re–F bond distances ranging from 1.95–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Re6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Re6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three K1+ and one Re6+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two K1+ and one Re6+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Re6+ atom.