Materials Data on RbTh2F9 by Materials Project

Abstract

RbTh2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.78–3.30 Å. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.37–2.45 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and 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 distorted trigonal planar geometry to one Rb1+ and two equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and two equivalent Th4+ atoms.