Materials Data on Na4XeO14 by Materials Project

Abstract

Xe(Na2O7)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of four xenon molecules and one Na2O7 framework. In the Na2O7 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.34–3.03 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.98 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 (1.38 Å) O–O bond length. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.89 Å) O–O bond length. 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 distorted T-shaped geometry to two Na and one O atom. The O–O bond length is 1.37 Å. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent Na and two equivalent O atoms. In the sixth O site, O is bonded in a distorted see-saw-like geometry to three Na and one O atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to two equivalent Na and two equivalent O atoms. In the eighth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom.