Materials Data on KU2F9 by Materials Project

Abstract

KU2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.63–3.11 Å. U4+ is bonded to seven F1- atoms to form a mixture of distorted edge and corner-sharing UF7 pentagonal bipyramids. There are a spread of U–F bond distances ranging from 2.09–2.44 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one U4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one U4+ atom.