U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeCu(WO4)2 by Materials Project
Abstract
CeCu(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.66 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.84–2.17 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.30 Å. Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, one W6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, one W6+, and one Cu1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213939
- 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; CeCu(WO4)2; Ce-Cu-O-W
- OSTI Identifier:
- 1740768
- DOI:
- https://doi.org/10.17188/1740768
Citation Formats
The Materials Project. Materials Data on CeCu(WO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740768.
The Materials Project. Materials Data on CeCu(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740768
The Materials Project. 2020.
"Materials Data on CeCu(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740768. https://www.osti.gov/servlets/purl/1740768. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1740768,
title = {Materials Data on CeCu(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCu(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.66 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.84–2.17 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.30 Å. Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, one W6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, one W6+, and one Cu1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one W6+ atom. In the sixth O2- site, O2- is bonded to three W6+ and one Cu1+ atom to form distorted edge-sharing OCuW3 tetrahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+, one W6+, and one Cu1+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+ and two W6+ atoms.},
doi = {10.17188/1740768},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}