Materials Data on SrThF6 by Materials Project

Abstract

SrThF6 is Sodium arsenide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Sr–F bond distances ranging from 2.42–2.87 Å. Th4+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Th–F bond distances ranging from 2.21–2.68 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Sr2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Sr2+ and three equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one Th4+ atom.