Materials Data on K2ThF6 by Materials Project

Abstract

K2ThF6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.73–2.82 Å. Th4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.28 Å) and four longer (2.46 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing FK2Th2 tetrahedra. In the second F1- site, F1- is bonded to three equivalent K1+ and one Th4+ atom to form a mixture of distorted edge and corner-sharing FK3Th tetrahedra.