U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuWO4 by Materials Project
Abstract
CuWO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CuO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of W–O bond distances ranging from 1.83–2.14 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of Cu–O bond distances ranging from 2.00–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cu2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1103309
- 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:
- 1751182
- DOI:
- https://doi.org/10.17188/1751182
Citation Formats
The Materials Project. Materials Data on CuWO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751182.
The Materials Project. Materials Data on CuWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1751182
The Materials Project. 2020.
"Materials Data on CuWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1751182. https://www.osti.gov/servlets/purl/1751182. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751182,
title = {Materials Data on CuWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuWO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CuO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of W–O bond distances ranging from 1.83–2.14 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of Cu–O bond distances ranging from 2.00–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1751182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}