Materials Data on KAs(OF2)2 by Materials Project

Abstract

KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to four equivalent O and four F atoms. There are two shorter (2.89 Å) and two longer (3.27 Å) K–O bond lengths. There are two shorter (2.85 Å) and two longer (2.93 Å) K–F bond lengths. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.80 Å. There is two shorter (1.80 Å) and two longer (1.81 Å) As–F bond length. O is bonded in a distorted single-bond geometry to two equivalent K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to one K and one As atom.