Materials Data on KO4F by Materials Project

Abstract

KO4F crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K is bonded in a 2-coordinate geometry to seven O and two equivalent F atoms. There are a spread of K–O bond distances ranging from 2.97–3.33 Å. There are one shorter (2.48 Å) and one longer (2.49 Å) K–F bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent K and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent K and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one O atom. F is bonded in a bent 120 degrees geometry to two equivalent K atoms.