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DOE OSTI · 1665018

Materials Data on H(WO3)4 by Materials Project

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Abstract

(WO3)8H2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two dihydrogen molecules and one WO3 framework. In the WO3 framework, W+5.75+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.83–2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.75+ atoms.

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36 MATERIALS SCIENCEcrystal structureH(WO3)4H-O-W

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2020-05-02. Materials Data on H(WO3)4 by Materials Project. https://doi.org/10.17188/1665018

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