Materials Data on Cs2PaF7 by Materials Project

Abstract

Cs2PaF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.43 Å. Pa5+ is bonded in a 7-coordinate geometry to nine F1- atoms. There are a spread of Pa–F bond distances ranging from 2.18–2.66 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and two equivalent Pa5+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pa5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pa5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pa5+ atom.