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Title: Materials Data on WO2 by Materials Project

Abstract

WO2 is Hydrophilite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of W–O bond distances ranging from 2.04–2.14 Å. In the second W4+ site, W4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of W–O bond distances ranging from 2.04–2.14 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three W4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three W4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W4+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1320078
Report Number(s):
mvc-2118
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; WO2; O-W

Citation Formats

The Materials Project. Materials Data on WO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320078.
The Materials Project. Materials Data on WO2 by Materials Project. United States. https://doi.org/10.17188/1320078
The Materials Project. Wed . "Materials Data on WO2 by Materials Project". United States. https://doi.org/10.17188/1320078. https://www.osti.gov/servlets/purl/1320078.
@article{osti_1320078,
title = {Materials Data on WO2 by Materials Project},
author = {The Materials Project},
abstractNote = {WO2 is Hydrophilite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of W–O bond distances ranging from 2.04–2.14 Å. In the second W4+ site, W4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of W–O bond distances ranging from 2.04–2.14 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three W4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three W4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W4+ atoms.},
doi = {10.17188/1320078},
url = {https://www.osti.gov/biblio/1320078}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}