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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on H3W by Materials Project

WH3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. W3+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of W–H bond distances ranging from 1.81–2.11 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal planar geometry to three equivalent W3+ atoms. In the second H1- site, H1- is bonded in a bent 120 degrees geometry to two equivalent W3+ atoms. In the third H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent W3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3W by Materials Project

WH3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one WH3 sheet oriented in the (0, 0, 1) direction. W3+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of W–H bond distances ranging from 1.81–2.36 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a water-like geometry to two equivalent W3+ atoms. In the second H1- site, H1- is bonded in a water-like geometry to two equivalent W3+ atoms. In the third H1- site, H1- is bonded in a 5-coordinate geometry to five equivalent W3+ atoms.

36 MATERIALS SCIENCE↗