Materials Data on NpTl2F6 by Materials Project

Abstract

NpTl2F6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Np–F bond distances ranging from 2.20–2.47 Å. Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.91–3.15 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Np4+ and four equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Np4+ and one Tl1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Np4+ and four equivalent Tl1+ atoms.