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Title: Materials Data on WO3 by Materials Project

Abstract

WO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is four shorter (1.93 Å) and two longer (1.94 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.

Publication Date:
Other Number(s):
mvc-5096
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; WO3; O-W
OSTI Identifier:
1321254
DOI:
10.17188/1321254

Citation Formats

The Materials Project. Materials Data on WO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321254.
The Materials Project. Materials Data on WO3 by Materials Project. United States. doi:10.17188/1321254.
The Materials Project. 2020. "Materials Data on WO3 by Materials Project". United States. doi:10.17188/1321254. https://www.osti.gov/servlets/purl/1321254. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1321254,
title = {Materials Data on WO3 by Materials Project},
author = {The Materials Project},
abstractNote = {WO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is four shorter (1.93 Å) and two longer (1.94 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.},
doi = {10.17188/1321254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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