Materials Data on K3UF3 by Materials Project

Abstract

K3UF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a bent 120 degrees geometry to two F atoms. Both K–F bond lengths are 2.78 Å. In the second K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of K–F bond distances ranging from 2.69–2.79 Å. In the third K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–F bond lengths. U is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of U–F bond distances ranging from 2.21–2.25 Å. There are three inequivalent F sites. In the first F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra. In the second F site, F is bonded in a distorted T-shaped geometry to two K and one U atom. In the third F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra.