Materials Data on NaAsO6 by Materials Project

Abstract

NaAsO4O2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one NaAsO4 sheet oriented in the (0, 0, 1) direction. In the NaAsO4 sheet, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.91 Å. As is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.74–1.89 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted square co-planar geometry to three equivalent Na and one As atom. In the second O site, O is bonded in a 3-coordinate geometry to one Na and two equivalent As atoms. In the third O site, O is bonded in a water-like geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom.