Materials Data on Th5OF19 by Materials Project

Abstract

Th5OF19 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to one O and eight F atoms. The Th–O bond length is 2.19 Å. There are a spread of Th–F bond distances ranging from 2.29–2.55 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Th–F bond distances ranging from 2.17–2.65 Å. In the third Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.24–2.53 Å. O is bonded in a single-bond geometry to one Th atom. There are eight inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two equivalent Th atoms. In the second F site, F is bonded in a linear geometry to two equivalent Th atoms. In the third F site, F is bonded in a distorted trigonal planar geometry to three Th atoms. In the fourth F site, F is bonded in a distorted linear geometry to two Th atoms. In the fifth F site, F is bonded in a distorted linear geometry to two Th atoms. In the sixth F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the seventh F site, F is bonded in a trigonal planar geometry to three Th atoms. In the eighth F site, F is bonded in a trigonal planar geometry to three Th atoms.