Materials Data on H2WO5 by Materials Project
WH2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one WH2O5 sheet oriented in the (1, 0, 0) direction. W is bonded to seven O atoms to form a mixture of corner and edge-sharing WO7 pentagonal bipyramids. There are a spread of W–O bond distances ranging from 1.85–2.11 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.54 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one W and one H atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent W atoms. In the third O site, O is bonded in a 1-coordinate geometry to one W and two H atoms. In the fourth O site, O is bonded in a 1-coordinate geometry to one W and one O atom. The O–O bond length is 1.46 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to one W and one O atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1278820
- Report Number(s):
- mp-626869
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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