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DOE OSTI · 1739528

Materials Data on SmHO2 by Materials Project

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Abstract

SmO(OH) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Sm–O bond distances ranging from 2.27–2.50 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms.

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36 MATERIALS SCIENCEcrystal structureH-O-SmSmHO2

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2020-05-02. Materials Data on SmHO2 by Materials Project. https://doi.org/10.17188/1739528

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