Materials Data on KF3 by Materials Project

Abstract

KF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of K–F bond distances ranging from 2.73–2.90 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of K–F bond distances ranging from 2.71–3.11 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to three K atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four K atoms. In the third F site, F is bonded in a distorted trigonal non-coplanar geometry to three K atoms. In the fourth F site, F is bonded in a distorted single-bond geometry to two equivalent K atoms. In the fifth F site, F is bonded in a 3-coordinate geometry to three K atoms. In the sixth F site, F is bonded in a distorted trigonal planar geometry to three K atoms.