U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuWO4 by Materials Project
Abstract
CuWO4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CuWO4 sheet oriented in the (0, 0, 1) direction. W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.08 Å. Cu2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one W6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one W6+ and two equivalent Cu2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent W6+ and one Cu2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1103679
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CuWO4; Cu-O-W
- OSTI Identifier:
- 1720895
- DOI:
- https://doi.org/10.17188/1720895
Citation Formats
The Materials Project. Materials Data on CuWO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1720895.
The Materials Project. Materials Data on CuWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1720895
The Materials Project. 2020.
"Materials Data on CuWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1720895. https://www.osti.gov/servlets/purl/1720895. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1720895,
title = {Materials Data on CuWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuWO4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CuWO4 sheet oriented in the (0, 0, 1) direction. W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.08 Å. Cu2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one W6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one W6+ and two equivalent Cu2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent W6+ and one Cu2+ atom.},
doi = {10.17188/1720895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}