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Title: Materials Data on H5W by Materials Project

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.

Publication Date:
Other Number(s):
mp-1095646
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; H5W; H-W
OSTI Identifier:
1678058
DOI:
https://doi.org/10.17188/1678058

Citation Formats

The Materials Project. Materials Data on H5W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678058.
The Materials Project. Materials Data on H5W by Materials Project. United States. doi:https://doi.org/10.17188/1678058
The Materials Project. 2020. "Materials Data on H5W by Materials Project". United States. doi:https://doi.org/10.17188/1678058. https://www.osti.gov/servlets/purl/1678058. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678058,
title = {Materials Data on H5W by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1678058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}