Materials Data on NaHF2 by Materials Project

Abstract

NaHF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 2-coordinate geometry to two equivalent H1+ and eight F1- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) Na–H bond lengths. There are a spread of Na–F bond distances ranging from 2.08–2.82 Å. H1+ is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and two F1- atoms. Both H–F bond lengths are 1.13 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one H1+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one H1+ atom.