Materials Data on Na2SnF6 by Materials Project

Abstract

Na2SnF6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent NaF6 octahedra, corners with four equivalent SnF6 octahedra, an edgeedge with one NaF6 octahedra, and an edgeedge with one SnF6 octahedra. The corner-sharing octahedra tilt angles range from 43–60°. There are a spread of Na–F bond distances ranging from 2.30–2.39 Å. Sn4+ is bonded to six F1- atoms to form SnF6 octahedra that share corners with eight equivalent NaF6 octahedra and edges with two equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. All Sn–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one Sn4+ atom.