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DOE OSTI · 1263604

Materials Data on YNbO4 by Materials Project

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Abstract

YNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.43 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Nb5+ atom.

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36 MATERIALS SCIENCEcrystal structureNb-O-YYNbO4

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2020-07-14. Materials Data on YNbO4 by Materials Project. https://doi.org/10.17188/1263604

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