U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on WO4 by Materials Project
Abstract
WO4 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two WO4 clusters. there are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.76–2.34 Å. In the second W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.20 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one W atom. In the second O site, O is bonded in a distorted T-shaped geometry to three W atoms. In the third O site, O is bonded in a single-bond geometry to one W atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the fifth O site, O is bonded in a single-bond geometry to one W atom.
- Publication Date:
- Other Number(s):
- mp-1201934
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-W; WO4; crystal structure
- OSTI Identifier:
- 1694623
- DOI:
- https://doi.org/10.17188/1694623
Citation Formats
Materials Data on WO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694623.
Materials Data on WO4 by Materials Project. United States. doi:https://doi.org/10.17188/1694623
2020.
"Materials Data on WO4 by Materials Project". United States. doi:https://doi.org/10.17188/1694623. https://www.osti.gov/servlets/purl/1694623. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694623,
title = {Materials Data on WO4 by Materials Project},
abstractNote = {WO4 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two WO4 clusters. there are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.76–2.34 Å. In the second W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.20 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one W atom. In the second O site, O is bonded in a distorted T-shaped geometry to three W atoms. In the third O site, O is bonded in a single-bond geometry to one W atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the fifth O site, O is bonded in a single-bond geometry to one W atom.},
doi = {10.17188/1694623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}