Materials Data on Na2CrH2F8 by Materials Project

Abstract

Na2CrH2F8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.39–2.57 Å. Cr4+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.84 Å) and two longer (1.92 Å) Cr–F bond length. H1+ is bonded in a distorted linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.50 Å) H–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Cr4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Cr4+, and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Na1+ and one H1+ atom.