Materials Data on NaSbF4 by Materials Project

Abstract

NaSbF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form distorted corner-sharing NaF6 octahedra. The corner-sharing octahedra tilt angles range from 52–64°. There are a spread of Na–F bond distances ranging from 2.30–2.49 Å. Sb3+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 2.00–2.53 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Sb3+ atoms. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one Na1+ and one Sb3+ atom.