Materials Data on NaNp3F13 by Materials Project

Abstract

NaNp3F13 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Na–F bond distances ranging from 2.07–2.85 Å. Np4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.26–2.59 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Np4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Np4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Np4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Na1+ atoms. In the fifth F1- site, F1- is bonded in a distorted linear geometry to two equivalent Np4+ atoms. In the sixth F1- site, F1- is bonded in a distorted tetrahedral geometry to one Na1+ and three equivalent Np4+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Np4+ atoms.