Materials Data on NaO8 by Materials Project

Abstract

NaO8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaO8 sheets oriented in the (0, 1, 0) direction. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.41–2.71 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a water-like geometry to one Na and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.33 Å) and one longer (1.35 Å) O–O bond length. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. In the fifth O site, O is bonded in a water-like geometry to one Na and one O atom. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.29 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a water-like geometry to one Na and one O atom.