Materials Data on Th6OF24 by Materials Project

Abstract

Th6OF24 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Th–F bond distances ranging from 2.33–2.39 Å. In the second Th site, Th is bonded in a 9-coordinate geometry to one O and eight F atoms. The Th–O bond length is 2.58 Å. There are four shorter (2.35 Å) and four longer (2.38 Å) Th–F bond lengths. O is bonded in a linear geometry to two equivalent Th atoms. There are four inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Th atoms. In the third F site, F is bonded in a linear geometry to two Th atoms. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Th atoms.