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DOE OSTI · 1687127

Materials Data on Re3Se4O3 by Materials Project

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Abstract

Re3Se4O3 is Copper structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four Re3Se4O3 clusters. Re+4.67+ is bonded in a distorted single-bond geometry to four Se2- and one O2- atom. There are two shorter (2.53 Å) and two longer (2.54 Å) Re–Se bond lengths. The Re–O bond length is 1.70 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Re+4.67+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Re+4.67+ atoms. O2- is bonded in a single-bond geometry to one Re+4.67+ atom.

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36 MATERIALS SCIENCEcrystal structureO-Re-SeRe3Se4O3

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2020-04-30. Materials Data on Re3Se4O3 by Materials Project. https://doi.org/10.17188/1687127

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