Materials Data on NaClO5 by Materials Project

Abstract

NaO5Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one NaO5Cl ribbon oriented in the (1, 0, 0) direction. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.55 Å. There are five inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one O atom to form a mixture of distorted edge and corner-sharing ONa3O trigonal pyramids. The O–O bond length is 1.39 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one Cl atom. The O–Cl bond length is 1.51 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na and two O atoms. Cl is bonded in a bent 120 degrees geometry to two O atoms.