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DOE OSTI · 1678125

Materials Data on CsO3 by Materials Project

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Abstract

CsO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.19–3.39 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Cs and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Cs and two O atoms. The O–O bond length is 1.37 Å. In the third O site, O is bonded to four equivalent Cs and one O atom to form a mixture of distorted corner and edge-sharing OCs4O trigonal bipyramids.

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36 MATERIALS SCIENCEcrystal structureCs-OCsO3

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2019-01-11. Materials Data on CsO3 by Materials Project. https://doi.org/10.17188/1678125

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