U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2CuWO6 by Materials Project
Abstract
WCuZn2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.93–1.99 Å. Cu2+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–2.69 Å. Zn2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one W6+, one Cu2+, and two equivalent Zn2+ atoms to form distorted corner-sharing OZn2CuW trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Cu2+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Cu2+, and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mvc-5037
- 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-Zn; Zn2CuWO6; crystal structure
- OSTI Identifier:
- 1321228
- DOI:
- https://doi.org/10.17188/1321228
Citation Formats
Materials Data on Zn2CuWO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321228.
Materials Data on Zn2CuWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321228
2020.
"Materials Data on Zn2CuWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321228. https://www.osti.gov/servlets/purl/1321228. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1321228,
title = {Materials Data on Zn2CuWO6 by Materials Project},
abstractNote = {WCuZn2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.93–1.99 Å. Cu2+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–2.69 Å. Zn2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one W6+, one Cu2+, and two equivalent Zn2+ atoms to form distorted corner-sharing OZn2CuW trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Cu2+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Cu2+, and two equivalent Zn2+ atoms.},
doi = {10.17188/1321228},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}