U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu2WO4 by Materials Project
Abstract
Cu2WO4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Cu2WO4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 4-coordinate geometry to one Cu1+ and three O2- atoms. The W–Cu bond length is 1.94 Å. There are a spread of W–O bond distances ranging from 1.95–2.37 Å. In the second W6+ site, W6+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 1.23–2.47 Å. There are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are two shorter (2.16 Å) and one longer (2.39 Å) Cu–O bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 7-coordinate geometry to one W6+ and one O2- atom. The Cu–O bond length is 2.37 Å. In the third Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.28 Å. In the fourth Cu1+ site, Cu1+ is bonded in a 1-coordinate geometry tomore »
- Publication Date:
- Other Number(s):
- mp-1181706
- 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; Cu-O-W; Cu2WO4; crystal structure
- OSTI Identifier:
- 1732024
- DOI:
- https://doi.org/10.17188/1732024
Citation Formats
Materials Data on Cu2WO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1732024.
Materials Data on Cu2WO4 by Materials Project. United States. doi:https://doi.org/10.17188/1732024
2019.
"Materials Data on Cu2WO4 by Materials Project". United States. doi:https://doi.org/10.17188/1732024. https://www.osti.gov/servlets/purl/1732024. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1732024,
title = {Materials Data on Cu2WO4 by Materials Project},
abstractNote = {Cu2WO4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Cu2WO4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 4-coordinate geometry to one Cu1+ and three O2- atoms. The W–Cu bond length is 1.94 Å. There are a spread of W–O bond distances ranging from 1.95–2.37 Å. In the second W6+ site, W6+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 1.23–2.47 Å. There are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are two shorter (2.16 Å) and one longer (2.39 Å) Cu–O bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 7-coordinate geometry to one W6+ and one O2- atom. The Cu–O bond length is 2.37 Å. In the third Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.28 Å. In the fourth Cu1+ site, Cu1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.55 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Cu1+ and one O2- atom. The O–O bond length is 1.57 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Cu1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and one Cu1+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and two equivalent Cu1+ atoms. In the sixth O2- site, O2- is bonded in a distorted L-shaped geometry to one W6+ and one Cu1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Cu1+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to one Cu1+ and one O2- atom.},
doi = {10.17188/1732024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}