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Title: Materials Data on W3O8 by Materials Project

Abstract

W3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two W3O8 sheets oriented in the (1, 0, 0) direction. there are two inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form edge-sharing WO6 octahedra. All W–O bond lengths are 1.96 Å. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.95–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent W+5.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three W+5.33+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two W+5.33+ atoms.

Publication Date:
Other Number(s):
mvc-15486
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; W3O8; O-W
OSTI Identifier:
1319474
DOI:
10.17188/1319474

Citation Formats

The Materials Project. Materials Data on W3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319474.
The Materials Project. Materials Data on W3O8 by Materials Project. United States. doi:10.17188/1319474.
The Materials Project. 2020. "Materials Data on W3O8 by Materials Project". United States. doi:10.17188/1319474. https://www.osti.gov/servlets/purl/1319474. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1319474,
title = {Materials Data on W3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {W3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two W3O8 sheets oriented in the (1, 0, 0) direction. there are two inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form edge-sharing WO6 octahedra. All W–O bond lengths are 1.96 Å. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.95–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent W+5.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three W+5.33+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two W+5.33+ atoms.},
doi = {10.17188/1319474},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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