Materials Data on Na4XeO14 by Materials Project

Abstract

XeNa4O14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Xe is bonded in a single-bond geometry to one O atom. The Xe–O bond length is 2.03 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.40–3.02 Å. In the second Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.21–2.57 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.35 Å) and one longer (1.41 Å) O–O bond length. In the second O site, O is bonded in a distorted T-shaped geometry to two Na and one O atom. The O–O bond length is 1.27 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two Na and one O atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom. The O–O bond length is 1.37 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two equivalent Na and two equivalent O atoms. In the sixth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom. In the seventh O site, O is bonded in a distorted T-shaped geometry to one Xe and two equivalent Na atoms. In the eighth O site, O is bonded in a distorted water-like geometry to one Na and one O atom.