Materials Data on NaSbClOF3 by Materials Project

Abstract

NaSbOClF3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Na–O bond length is 2.48 Å. There are a spread of Na–F bond distances ranging from 2.38–2.50 Å. Sb5+ is bonded in a 3-coordinate geometry to two equivalent Cl1- and three F1- atoms. Both Sb–Cl bond lengths are 2.93 Å. There is one shorter (1.97 Å) and two longer (2.01 Å) Sb–F bond length. O2- is bonded in a distorted water-like geometry to one Na1+ and one Cl1- atom. The O–Cl bond length is 2.39 Å. Cl1- is bonded in a 3-coordinate geometry to two equivalent Sb5+ and one O2- atom. 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 Sb5+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Na1+ and one Sb5+ atom.