Materials Data on NaO5 by Materials Project

Abstract

NaO5 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NaO5 sheet oriented in the (2, 0, -1) direction. Na is bonded in a 7-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.32–2.89 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Na and two equivalent O atoms. Both O–O bond lengths are 1.63 Å. In the second O site, O is bonded in a pentagonal planar geometry to three equivalent Na and two equivalent O atoms. Both O–O bond lengths are 1.64 Å. In the third O site, O is bonded to two equivalent Na and two equivalent O atoms to form a mixture of distorted edge and corner-sharing ONa2O2 trigonal pyramids. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Na and one O atom. The O–O bond length is 1.24 Å. In the fifth O site, O is bonded in a single-bond geometry to one O atom.