Materials Data on KNaThF6 by Materials Project
KNaThF6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.72–2.90 Å. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.29 Å) and three longer (2.53 Å) Na–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.30–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Na1+, and one Th4+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one K1+, one Na1+, and two equivalent Th4+ atoms.