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DOE OSTI · 1678058

Materials Data on H5W by Materials Project

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Abstract

WH5 crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one WH5 sheet oriented in the (0, 1, 0) direction. W3+ is bonded in a 12-coordinate geometry to ten H+0.60- atoms. There are a spread of W–H bond distances ranging from 1.76–2.05 Å. There are three inequivalent H+0.60- sites. In the first H+0.60- site, H+0.60- is bonded in a water-like geometry to two equivalent W3+ atoms. In the second H+0.60- site, H+0.60- is bonded in a water-like geometry to two equivalent W3+ atoms. In the third H+0.60- site, H+0.60- is bonded in a 1-coordinate geometry to two equivalent W3+ atoms.

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36 MATERIALS SCIENCEcrystal structureH-WH5W

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2020-05-03. Materials Data on H5W by Materials Project. https://doi.org/10.17188/1678058

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