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DOE OSTI · 1290501

Materials Data on YHO2 by Materials Project

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Abstract

YHO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Y–O bond distances ranging from 2.22–2.42 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 Y3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

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36 MATERIALS SCIENCEcrystal structureH-O-YYHO2

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2020-07-20. Materials Data on YHO2 by Materials Project. https://doi.org/10.17188/1290501

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