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DOE OSTI · 1732724

Materials Data on SmSO4 by Materials Project

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Abstract

SmSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.81 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sm2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm2+ and one S6+ atom.

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36 MATERIALS SCIENCEcrystal structureO-S-SmSmSO4

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2019-01-12. Materials Data on SmSO4 by Materials Project. https://doi.org/10.17188/1732724

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