Materials Data on NaSb3F10 by Materials Project

Abstract

NaSb3F10 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Na1+ is bonded in an octahedral geometry to six F1- atoms. There are three shorter (2.34 Å) and three longer (2.38 Å) Na–F bond lengths. Sb3+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.97–2.56 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Na1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb3+ atoms.