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DOE OSTI · 1687143

Materials Data on LuHO2 by Materials Project

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Abstract

LuO(OH) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Lu–O bond distances ranging from 2.16–2.34 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.62 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OLu3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Lu3+ and one H1+ atom.

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36 MATERIALS SCIENCEcrystal structureH-Lu-OLuHO2

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2020-05-02. Materials Data on LuHO2 by Materials Project. https://doi.org/10.17188/1687143

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