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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on XeO3 by Materials Project

XeO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four XeO3 clusters. Xe is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Xe–O bond distances ranging from 1.88–1.92 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom. In the third O site, O is bonded in a distorted single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsXe(OF2)3 by Materials Project

XeO3AsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO3 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.81 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeO3 cluster, Xe is bonded in a 3-coordinate geometry to three O atoms. There is one shorter (1.86 Å) and two longer (1.93 Å) Xe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗