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DOE OSTI · 1278512

Materials Data on Ta2H4O7 by Materials Project

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Abstract

H4OTa2O6 is Upper Bainite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight H4O clusters and one TaO3 framework. In each H4O cluster, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.05 Å. O2- is bonded in a tetrahedral geometry to four equivalent H1+ atoms. In the TaO3 framework, Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms.

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36 MATERIALS SCIENCEcrystal structureH-O-TaTa2H4O7

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2020-05-02. Materials Data on Ta2H4O7 by Materials Project. https://doi.org/10.17188/1278512

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