Materials Data on Th2AuF11 by Materials Project

Abstract

Th2AuF11 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.33–2.59 Å. Au3+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Au–F bond lengths are 1.95 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one Au3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms.